AID
int64 587
594
| SID
int64 842k
11.1M
| SID Group
int64 11
59.1k
| CID
int64 199
136M
| Activity Outcome
stringclasses 1
value | Activity Name
float64 | Activity Qualifier
float64 | Activity Value
float64 | Protein Accession
float64 | Gene ID
float64 | Target TaxID
float64 | PMID
float64 | smiles
stringlengths 8
226
| InChI
stringlengths 40
441
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
593 | 845,167 | 56,048 | 647,501 | Active | null | null | null | null | null | null | null | CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2 | InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3 |
593 | 4,249,390 | 18,875 | 2,794,423 | Active | null | null | null | null | null | null | null | NC1=CC(=O)c2cccc3cccc1c23 | InChI=1S/C13H9NO/c14-11-7-12(15)10-6-2-4-8-3-1-5-9(11)13(8)10/h1-7H,14H2 |
593 | 847,426 | 53,789 | 600,799 | Active | null | null | null | null | null | null | null | Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1 | InChI=1S/C14H12N4S/c1-8-2-4-9(5-3-8)12-10(6-15)13(17)19-14(18)11(12)7-16/h2-5,12H,17-18H2,1H3 |
593 | 847,039 | 54,176 | 649,434 | Active | null | null | null | null | null | null | null | CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1 | InChI=1S/C21H18N2O5S/c1-3-27-14-6-4-5-13(11-14)17-16(18(24)15-8-7-12(2)28-15)19(25)20(26)23(17)21-22-9-10-29-21/h4-11,17,25H,3H2,1-2H3 |
593 | 4,257,849 | 10,697 | 1,258,835 | Active | null | null | null | null | null | null | null | COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2 | InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,15H,2-4H2,1H3 |
593 | 4,265,471 | 3,130 | 2,193,273 | Active | null | null | null | null | null | null | null | Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C2=O)c2cccnc12 | InChI=1S/C27H24N4O2/c1-17-8-10-23(19-7-4-12-28-25(17)19)31-26(32)20-6-3-5-18-22(30-15-13-29(2)14-16-30)11-9-21(24(18)20)27(31)33/h3-12H,13-16H2,1-2H3 |
593 | 11,110,714 | 2,602 | 1,720 | Active | null | null | null | null | null | null | null | Nc1ccc2c3c(cccc13)C(=O)NC2=O | InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16) |
593 | 843,741 | 57,474 | 646,043 | Active | null | null | null | null | null | null | null | Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1 | InChI=1S/C17H17N3O2S/c1-10-2-3-13-11(8-10)9-12-14(18)15(23-16(12)19-13)17(21)20-4-6-22-7-5-20/h2-3,8-9H,4-7,18H2,1H3 |
593 | 848,275 | 52,940 | 650,713 | Active | null | null | null | null | null | null | null | COc1cc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C | InChI=1S/C23H25N5O2/c1-14(2)30-19-6-5-15(9-20(19)29-4)21-18-11-28(3)8-7-16(18)17(10-24)22(27)23(21,12-25)13-26/h5-7,9,14,18,21H,8,11,27H2,1-4H3 |
593 | 11,111,116 | 2,200 | 3,108 | Active | null | null | null | null | null | null | null | OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 | InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 |
593 | 4,252,380 | 16,118 | 3,245,940 | Active | null | null | null | null | null | null | null | Brc1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1 | InChI=1S/C18H19BrN4O2S/c19-14-3-1-13(2-4-14)16-20-21-17-23(16)12-15(26-17)11-22-7-5-18(6-8-22)24-9-10-25-18/h1-4,12H,5-11H2 |
593 | 842,312 | 58,903 | 644,571 | Active | null | null | null | null | null | null | null | CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O | InChI=1S/C16H23N3O2/c1-3-7-19-15(20)13(10-17)12(2)14(16(19)21)11-18-8-5-4-6-9-18/h21H,3-9,11H2,1-2H3 |
593 | 11,112,534 | 787 | 3,926 | Active | null | null | null | null | null | null | null | Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36) |
593 | 11,112,704 | 618 | 4,939 | Active | null | null | null | null | null | null | null | CC[N+](C)(CC)CCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 | InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1 |
593 | 11,112,934 | 388 | 6,419,892 | Active | null | null | null | null | null | null | null | O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg])c([O-])c(Br)cc12 | InChI=1S/C20H9Br2O5.Hg/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;/h1-7,24H,(H,25,26);/p-2 |
593 | 11,113,070 | 252 | 135,403,649 | Active | null | null | null | null | null | null | null | CC1=NCCc2c1[nH]c1cc(O)ccc21 | InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3 |
593 | 11,113,286 | 36 | 14,987 | Active | null | null | null | null | null | null | null | CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21 | InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1 |
593 | 11,112,811 | 511 | 3,698 | Active | null | null | null | null | null | null | null | Nc1cc(-c2ccncc2)c[nH]c1=O | InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14) |
593 | 843,145 | 58,070 | 645,423 | Active | null | null | null | null | null | null | null | CCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1 | InChI=1S/C23H26N4O4/c1-3-26(4-2)17-8-7-16-14-18(23(29)31-20(16)15-17)22(28)25-19-6-5-9-24-21(19)27-10-12-30-13-11-27/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,25,28) |
593 | 844,459 | 56,756 | 135,450,624 | Active | null | null | null | null | null | null | null | COc1ccccc1NC(=O)c1cc2ccc(O)cc2o/c1=N\O | InChI=1S/C17H14N2O5/c1-23-14-5-3-2-4-13(14)18-16(21)12-8-10-6-7-11(20)9-15(10)24-17(12)19-22/h2-9,20,22H,1H3,(H,18,21)/b19-17- |
594 | 4,254,374 | 44,953 | 72,685 | Active | null | null | null | null | null | null | null | CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)/C1=N\c1c(C)cc(O)cc1O | InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29,31-35H,1-4H3/b30-28- |
594 | 846,370 | 4,250 | 5,309,506 | Active | null | null | null | null | null | null | null | Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCOCC1 | InChI=1S/C18H26N2O2/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(21)11-19-6-8-22-9-7-19/h4-5,10,16,21H,6-9,11-12H2,1-3H3 |
594 | 858,141 | 14,227 | 659,498 | Active | null | null | null | null | null | null | null | CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1 | InChI=1S/C16H11N5/c1-12-7-15(8-17,9-18)16(10-19,11-20)14(21-12)13-5-3-2-4-6-13/h2-7,14,21H,1H3 |
594 | 850,124 | 8,004 | 652,631 | Active | null | null | null | null | null | null | null | COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1 | InChI=1S/C25H28N6O3/c1-34-20-8-7-18-15-21(25(33)26-22(18)16-20)23(30-12-10-19(32)11-13-30)24-27-28-29-31(24)14-9-17-5-3-2-4-6-17/h2-8,15-16,19,23,32H,9-14H2,1H3,(H,26,33) |
594 | 4,257,849 | 48,398 | 1,258,835 | Active | null | null | null | null | null | null | null | COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2 | InChI=1S/C14H13NO3S/c1-18-14(17)8-5-6-9-12(7-8)19-13-10(15-9)3-2-4-11(13)16/h5-7,15H,2-4H2,1H3 |
594 | 858,057 | 14,143 | 659,413 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23 | InChI=1S/C19H12N2O3/c22-18-12-5-1-2-6-13(12)19-17-15(21-24-19)8-7-14(16(17)18)20-10-11-4-3-9-23-11/h1-9,20H,10H2 |
594 | 11,112,934 | 58,707 | 6,419,892 | Active | null | null | null | null | null | null | null | O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg])c([O-])c(Br)cc12 | InChI=1S/C20H9Br2O5.Hg/c21-13-5-11-17(7-15(13)23)27-18-8-16(24)14(22)6-12(18)19(11)9-3-1-2-4-10(9)20(25)26;/h1-7,24H,(H,25,26);/p-2 |
594 | 852,623 | 10,503 | 3,098,234 | Active | null | null | null | null | null | null | null | CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S | InChI=1S/C16H16N2O2S/c1-3-17-12-8-6-5-7-11(12)9-10-13(17)14-15(19)18(4-2)16(21)20-14/h5-10H,3-4H2,1-2H3/b14-13- |
594 | 853,401 | 11,281 | 656,056 | Active | null | null | null | null | null | null | null | O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1 | InChI=1S/C20H19N3O3S/c24-19(21-14-7-8-16-17(10-14)26-12-25-16)13-4-3-9-23(11-13)20-22-15-5-1-2-6-18(15)27-20/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,21,24) |
594 | 3,713,635 | 24,672 | 2,377,519 | Active | null | null | null | null | null | null | null | CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1 | InChI=1S/C29H27N3O3S/c1-29(2,3)26(33)24(18-30)28-32(19-23-11-8-16-35-23)27(34)25(36-28)17-20-12-14-22(15-13-20)31(4)21-9-6-5-7-10-21/h5-17H,19H2,1-4H3/b25-17-,28-24- |
594 | 3,716,574 | 27,608 | 2,999,671 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21 | InChI=1S/C15H16N4O2S/c1-3-19-12-5-4-10(14(20)21)8-11(12)17-13(19)9-22-15-16-6-7-18(15)2/h4-8H,3,9H2,1-2H3,(H,20,21) |
594 | 11,112,689 | 58,462 | 6,604,373 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16+,17+,22+,27+/m0/s1 |
594 | 862,610 | 18,596 | 663,844 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23 | InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2 |
594 | 4,254,404 | 44,983 | 461,805 | Active | null | null | null | null | null | null | null | N[C@H](Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)O | InChI=1S/C19H14N2O4/c20-13(19(23)24)7-10-5-6-16-14(8-10)21-18-12-4-2-1-3-11(12)15(22)9-17(18)25-16/h1-6,8-9,13H,7,20H2,(H,23,24)/t13-/m1/s1 |
594 | 4,254,230 | 44,810 | 428,781 | Active | null | null | null | null | null | null | null | CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O | InChI=1S/C19H20N2O4/c1-21(2)9-5-8-20-13-10-14(22)15-16(19(13)25)18(24)12-7-4-3-6-11(12)17(15)23/h3-4,6-7,10,20,22,25H,5,8-9H2,1-2H3 |
594 | 4,253,659 | 44,242 | 274,104 | Active | null | null | null | null | null | null | null | O=C(O)c1c(Br)c(Br)c(Br)c(Br)c1C1c2ccc(O)cc2Oc2cc(O)ccc21 | InChI=1S/C20H10Br4O5/c21-16-14(15(20(27)28)17(22)19(24)18(16)23)13-9-3-1-7(25)5-11(9)29-12-6-8(26)2-4-10(12)13/h1-6,13,25-26H,(H,27,28) |
594 | 4,253,737 | 44,320 | 278,672 | Active | null | null | null | null | null | null | null | O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(Nc3ccc(S(=O)(=O)O)cc3)c21 | InChI=1S/C26H24N2O5S/c29-25-19-8-4-5-9-20(19)26(30)24-22(28-17-10-12-18(13-11-17)34(31,32)33)15-14-21(23(24)25)27-16-6-2-1-3-7-16/h4-5,8-16,27-28H,1-3,6-7H2,(H,31,32,33) |
594 | 4,253,824 | 44,407 | 9,595,220 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1 | InChI=1S/C27H30N2O10/c1-10-22(30)14(28)7-17(38-10)39-16-9-27(35,11(2)29-36)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(37-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-36H,7-9,28H2,1-3H3/b29-11-/t10-,14-,16-,17-,22-,27+/m0/s1 |
594 | 3,713,109 | 24,146 | 2,306,089 | Active | null | null | null | null | null | null | null | CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21 | InChI=1S/C16H26N3OP/c1-16(2)13-10-8-9-11-14(13)19(7)15(16)12-21(20,17(3)4)18(5)6/h8-12H,1-7H3/b15-12- |
594 | 4,250,548 | 41,286 | 712,714 | Active | null | null | null | null | null | null | null | CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 | InChI=1S/C19H16N2O2/c1-3-20-17-16-11-7-4-5-8-12(11)18(22)13-9-6-10-14(15(13)16)21(2)19(17)23/h4-10,20H,3H2,1-2H3 |
594 | 3,716,567 | 27,601 | 2,123,860 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21 | InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24) |
594 | 848,038 | 5,918 | 650,462 | Active | null | null | null | null | null | null | null | Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2 | InChI=1S/C19H16N2O3/c1-21-14-8-4-7-13-15(14)16(17(19(21)24)20-9-10-22)11-5-2-3-6-12(11)18(13)23/h2-8,20,22H,9-10H2,1H3 |
594 | 4,265,299 | 55,795 | 2,906,351 | Active | null | null | null | null | null | null | null | CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O | InChI=1S/C15H15N3O3/c1-17-13(19)11(14(20)18(2)15(17)21)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,7H2,1-2H3 |
594 | 4,263,041 | 53,551 | 1,247,498 | Active | null | null | null | null | null | null | null | CCOc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12 | InChI=1S/C20H17NO4/c1-2-24-17-9-5-7-14-12-15(20(23)25-18(14)17)19(22)21-11-10-13-6-3-4-8-16(13)21/h3-9,12H,2,10-11H2,1H3 |
594 | 11,111,316 | 57,095 | 151,582 | Active | null | null | null | null | null | null | null | CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O | InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16+,17-,21+,26+/m0/s1 |
594 | 11,112,702 | 58,475 | 6,604,382 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15+,17+,22+,27+/m0/s1 |
594 | 3,714,323 | 25,358 | 6,602,956 | Active | null | null | null | null | null | null | null | CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21 | InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33) |
594 | 855,543 | 11,638 | 62,770 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1 |
594 | 855,944 | 12,030 | 443,939 | Active | null | null | null | null | null | null | null | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 |
594 | 4,252,983 | 43,570 | 13,399 | Active | null | null | null | null | null | null | null | Nc1n[nH]c2ccccc12 | InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10) |
594 | 3,712,357 | 23,396 | 2,079,240 | Active | null | null | null | null | null | null | null | Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1 | InChI=1S/C22H22N6O2S2/c1-12-4-6-14(30-12)7-5-13-8-15-16(10-23)19(32-18(15)22(2,3)9-13)25-17(29)11-31-21-26-20(24)27-28-21/h4-8H,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,28)/b7-5+ |
594 | 4,254,612 | 45,187 | 870,979 | Active | null | null | null | null | null | null | null | O=S(=O)(Cc1ccccc1)N1CCc2ccccc21 | InChI=1S/C15H15NO2S/c17-19(18,12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2 |
Subsets and Splits