Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 16801 | A1INN | 2 | C29 H40 N4 O6 | InChI=1S/C29H40N4O6/c1-36 -24-17-21-18-25(37-2)27(2 4)38-15-8-13-32-19-22(30- 31-32)12-16-39-29(35)23-1 1-6-7-14-33(23)28(34)26(2 1)20-9-4-3-5-10-20/h17-20 ,23,26H,3-16H2,1-2H3/t23- ,26-/m0/s1; WLVDUSVHWUVZCC-OZXSUGGESA-N |
COc1cc2cc(OC)c1OCCCn3cc(CCOC(=O)[C@@H]4C CCCN4C(=O)[C@H]2C5CCCCC5)nn3; COc1cc2cc( c1OCCCn3cc(nn3)CCOC(=O)[C@@H]4CCCCN4C(=O )[C@H]2C5CCCCC5)OC; COc1cc2cc(OC)c1OCCCn 3cc(CCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC 5)nn3; COc1cc2cc(c1OCCCn3cc(nn3)CCOC(=O) C4CCCCN4C(=O)C2C5CCCCC5)OC |
3-cyclohexyl-1,19-dimethoxy-11,16-dioxa-19lambda4-polona-1,13-diaza-2lambda5-polonapentacyclo[16.4.0.04,9.013,19.020,25]docosane-2,12-dione |
| 16802 | A1INO | 2 | C31 H44 N4 O6 | InChI=1S/C31H44N4O6/c1-21 -14-16-34-20-24(32-33-34) 12-9-17-40-31(37)25-13-7- 8-15-35(25)30(36)28(22-10 -5-4-6-11-22)23-18-26(38- 2)29(39-3)27(19-23)41-21/ h18-22,25,28H,4-17H2,1-3H 3/t21-,25-,28-/m0/s1; YQIADJASNGMGCE-QLADTWODSA-N |
COc1cc2cc(O[C@@H](C)CCn3cc(CCCOC(=O)[C@@ H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C C1CCn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4c c(c(c(c4)OC)OC)O1)C5CCCCC5; C[C@H]1CCn2c c(nn2)CCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H](c 4cc(c(c(c4)OC)OC)O1)C5CCCCC5; COc1cc2cc( O[CH](C)CCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O) [CH]2C5CCCCC5)nn3)c1OC |
3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone |
| 16803 | A1INP | 2 | C32 H46 N4 O6 | InChI=1S/C32H46N4O6/c1-22 -19-35-20-25(33-34-35)13- 8-10-16-41-32(38)26-14-7- 9-15-36(26)31(37)29(23-11 -5-4-6-12-23)24-17-27(39- 2)30(40-3)28(18-24)42-21- 22/h17-18,20,22-23,26,29H ,4-16,19,21H2,1-3H3/t22-, 26-,29-/m0/s1; YTXVEIDMQBSYLS-ONALNCHISA-N |
CC1Cn2cc(nn2)CCCCOC(=O)C3CCCCN3C(=O)C(c4 cc(c(c(c4)OC)OC)OC1)C5CCCCC5; C[C@H]1Cn2 cc(nn2)CCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H] (c4cc(c(c(c4)OC)OC)OC1)C5CCCCC5; COc1cc2 cc(OC[CH](C)Cn3cc(CCCCOC(=O)[CH]4CCCCN4C (=O)[CH]2C5CCCCC5)nn3)c1OC; COc1cc2cc(OC [C@@H](C)Cn3cc(CCCCOC(=O)[C@@H]4CCCCN4C( =O)[C@H]2C5CCCCC5)nn3)c1OC |
3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-19lambda4-thia-5-aza-18-stannapentacyclo[15.7.0.01,10.010,10.018,23]tetracosa-13,20-diene-4,12-quinone |
| 16804 | A1INQ | 2 | C32 H46 N4 O6 | InChI=1S/C32H46N4O6/c1-22 -15-17-35-21-25(33-34-35) 13-8-10-18-41-32(38)26-14 -7-9-16-36(26)31(37)29(23 -11-5-4-6-12-23)24-19-27( 39-2)30(40-3)28(20-24)42- 22/h19-23,26,29H,4-18H2,1 -3H3/t22-,26+,29+/m1/s1; PNIMKFUOUMACNI-DVTKYRPYSA-N |
COc1cc2cc(O[CH](C)CCn3cc(CCCCOC(=O)[CH]4 CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; COc1c c2cc(O[C@H](C)CCn3cc(CCCCOC(=O)[C@@H]4CC CCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C[C@@H ]1CCn2cc(nn2)CCCCOC(=O)[C@@H]3CCCCN3C(=O )[C@H](c4cc(c(c(c4)OC)OC)O1)C5CCCCC5; CC 1CCn2cc(nn2)CCCCOC(=O)C3CCCCN3C(=O)C(c4c c(c(c(c4)OC)OC)O1)C5CCCCC5 |
3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone |
| 16805 | A1INR | 2 | C31 H44 N4 O6 | InChI=1S/C31H44N4O6/c1-21 -14-17-40-27-19-23(18-26( 38-2)29(27)39-3)28(22-10- 5-4-6-11-22)30(36)34-15-8 -7-13-25(34)31(37)41-16-9 -12-24-20-35(21)33-32-24/ h18-22,25,28H,4-17H2,1-3H 3/t21-,25-,28-/m0/s1; DYXFIIHVUAPFDY-QLADTWODSA-N |
C[C@H]1CCOc2cc(cc(c2OC)OC)[C@@H](C(=O)N3 CCCC[C@H]3C(=O)OCCCc4cn1nn4)C5CCCCC5; CC 1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O) OCCCc4cn1nn4)C5CCCCC5; COc1cc2cc(OCC[CH] (C)n3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5 CCCCC5)nn3)c1OC; COc1cc2cc(OCC[C@H](C)n3 cc(CCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CC CCC5)nn3)c1OC |
3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone |
| 16806 | A1INS | 2 | C32 H46 N4 O6 | InChI=1S/C32H46N4O6/c1-22 -15-18-41-28-20-24(19-27( 39-2)30(28)40-3)29(23-11- 5-4-6-12-23)31(37)35-16-9 -7-14-26(35)32(38)42-17-1 0-8-13-25-21-36(22)34-33- 25/h19-23,26,29H,4-18H2,1 -3H3/t22-,26-,29-/m0/s1; HBJBVDZIYYVDNJ-ONALNCHISA-N |
C[C@H]1CCOc2cc(cc(c2OC)OC)[C@@H](C(=O)N3 CCCC[C@H]3C(=O)OCCCCc4cn1nn4)C5CCCCC5; C C1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O )OCCCCc4cn1nn4)C5CCCCC5; COc1cc2cc(OCC[C H](C)n3cc(CCCCOC(=O)[CH]4CCCCN4C(=O)[CH] 2C5CCCCC5)nn3)c1OC; COc1cc2cc(OCC[C@H](C )n3cc(CCCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2 C5CCCCC5)nn3)c1OC |
3-cyclohexyl-23,24-dimethoxy-17-methyl-11,22-dioxa-5-aza-23lambda5,24lambda5-diphospha-2,23lambda5-diphosphapentacyclo[21.2.1.01,18.05,10.018,23]hexacosa-18,24-diene-4,12-quinone |
| 16807 | A1INT | 2 | C31 H44 N4 O6 | InChI=1S/C31H44N4O6/c1-21 -14-17-40-27-19-23(18-26( 38-2)29(27)39-3)28(22-10- 5-4-6-11-22)30(36)34-15-8 -7-13-25(34)31(37)41-16-9 -12-24-20-35(21)33-32-24/ h18-22,25,28H,4-17H2,1-3H 3/t21-,25+,28+/m1/s1; DYXFIIHVUAPFDY-ZNFSXRAMSA-N |
COc1cc2cc(OCC[C@@H](C)n3cc(CCCOC(=O)[C@@ H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C C1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O )OCCCc4cn1nn4)C5CCCCC5; COc1cc2cc(OCC[CH ](C)n3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C 5CCCCC5)nn3)c1OC; C[C@@H]1CCOc2cc(cc(c2O C)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)OCCCc4 cn1nn4)C5CCCCC5 |
3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone |
| 16808 | A1INU | 2 | C31 H44 N4 O6 | InChI=1S/C31H44N4O6/c1-21 -18-34-19-24(32-33-34)12- 9-15-40-31(37)25-13-7-8-1 4-35(25)30(36)28(22-10-5- 4-6-11-22)23-16-26(38-2)2 9(39-3)27(17-23)41-20-21/ h16-17,19,21-22,25,28H,4- 15,18,20H2,1-3H3/t21-,25+ ,28+/m1/s1; VVJDGLCOUGEKPB-ZNFSXRAMSA-N |
C[C@@H]1Cn2cc(nn2)CCCOC(=O)[C@@H]3CCCCN3 C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC1)C5CCCCC 5; COc1cc2cc(OC[CH](C)Cn3cc(CCCOC(=O)[CH ]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; CC1 Cn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4cc(c (c(c4)OC)OC)OC1)C5CCCCC5; COc1cc2cc(OC[C @H](C)Cn3cc(CCCOC(=O)[C@@H]4CCCCN4C(=O)[ C@H]2C5CCCCC5)nn3)c1OC |
3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-1-aza-1lambda5-polona-1,18-distannapentacyclo[15.7.0.01,10.010,10.011,16]eicosane-2,12-quinone |
| 16809 | A1INV | 2 | C31 H44 N4 O6 | InChI=1S/C31H44N4O6/c1-21 -14-16-34-20-24(32-33-34) 12-9-17-40-31(37)25-13-7- 8-15-35(25)30(36)28(22-10 -5-4-6-11-22)23-18-26(38- 2)29(39-3)27(19-23)41-21/ h18-22,25,28H,4-17H2,1-3H 3/t21-,25+,28+/m1/s1; YQIADJASNGMGCE-ZNFSXRAMSA-N |
COc1cc2cc(O[C@H](C)CCn3cc(CCCOC(=O)[C@@H ]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; CC 1CCn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4cc (c(c(c4)OC)OC)O1)C5CCCCC5; COc1cc2cc(O[C H](C)CCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH ]2C5CCCCC5)nn3)c1OC; C[C@@H]1CCn2cc(nn2) CCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c( c(c4)OC)OC)O1)C5CCCCC5 |
3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone |
| 16810 | A1INW | 2 | C31 H44 N4 O6 | InChI=1S/C31H44N4O6/c1-21 -16-24-19-34(33-32-24)13- 9-15-40-27-18-23(17-26(38 -2)29(27)39-3)28(22-10-5- 4-6-11-22)30(36)35-14-8-7 -12-25(35)31(37)41-20-21/ h17-19,21-22,25,28H,4-16, 20H2,1-3H3/t21-,25-,28-/m 0/s1; XNYXIOZDJFQUQO-QLADTWODSA-N |
C[C@H]1Cc2cn(nn2)CCCOc3cc(cc(c3OC)OC)[C@ @H](C(=O)N4CCCC[C@H]4C(=O)OC1)C5CCCCC5; COc1cc2cc(OCCCn3cc(C[CH](C)COC(=O)[CH]4C CCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; COc1cc 2cc(OCCCn3cc(C[C@H](C)COC(=O)[C@@H]4CCCC N4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; CC1Cc2cn (nn2)CCCOc3cc(cc(c3OC)OC)C(C(=O)N4CCCCC4 C(=O)OC1)C5CCCCC5 |
2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone |
| 16811 | A1INX | 2 | C32 H46 N4 O6 | InChI=1S/C32H46N4O6/c1-21 -16-25-19-36(34-33-25)22( 2)13-15-41-28-18-24(17-27 (39-3)30(28)40-4)29(23-10 -6-5-7-11-23)31(37)35-14- 9-8-12-26(35)32(38)42-20- 21/h17-19,21-23,26,29H,5- 16,20H2,1-4H3/t21-,22+,26 -,29-/m0/s1; KYEGZUVYNFTHPD-LEEWXGEHSA-N |
COc1cc2cc(OCC[C@@H](C)n3cc(C[C@H](C)COC( =O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3) c1OC; COc1cc2cc(OCC[CH](C)n3cc(C[CH](C)C OC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3) c1OC; CC1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCC CC3C(=O)OCC(Cc4cn1nn4)C)C5CCCCC5; C[C@@H ]1CCOc2cc(cc(c2OC)OC)[C@@H](C(=O)N3CCCC[ C@H]3C(=O)OC[C@H](Cc4cn1nn4)C)C5CCCCC5 |
3-cyclohexyl-17-hydroxy-16,17-dimethoxy-12-methyl-15,18-dioxa-5-aza-1lambda5,17lambda5-diphosphapentacyclo[17.3.1.01,10.05,10.011,19]tricosa-10,19(23)-diene-4,11-quinone |
| 16812 | A1INY | 2 | C32 H46 N4 O6 | InChI=1S/C32H46N4O6/c1-21 -16-25-19-35(34-33-25)15- 13-22(2)42-28-18-24(17-27 (39-3)30(28)40-4)29(23-10 -6-5-7-11-23)31(37)36-14- 9-8-12-26(36)32(38)41-20- 21/h17-19,21-23,26,29H,5- 16,20H2,1-4H3/t21-,22-,26 -,29-/m0/s1; ZJVUAEGRGHMXLM-FQFDVSBWSA-N |
CC1CCn2cc(nn2)CC(COC(=O)C3CCCCN3C(=O)C(c 4cc(c(c(c4)OC)OC)O1)C5CCCCC5)C; COc1cc2c c(O[CH](C)CCn3cc(C[CH](C)COC(=O)[CH]4CCC CN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; COc1cc2c c(O[C@@H](C)CCn3cc(C[C@H](C)COC(=O)[C@@H ]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C[ C@H]1CCn2cc(nn2)C[C@@H](COC(=O)[C@@H]3CC CCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)O1)C5CC CCC5)C |
3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone |
| 16813 | A1INZ | 3 | C31 H44 N4 O6 | InChI=1S/C31H44N4O6/c1-21 -16-24-19-34(33-32-24)13- 9-15-40-27-18-23(17-26(38 -2)29(27)39-3)28(22-10-5- 4-6-11-22)30(36)35-14-8-7 -12-25(35)31(37)41-20-21/ h17-19,21-22,25,28H,4-16, 20H2,1-3H3/t21-,25+,28+/m 1/s1; XNYXIOZDJFQUQO-ZNFSXRAMSA-N |
COc1cc2cc(OCCCn3cc(C[C@@H](C)COC(=O)[C@@ H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C Oc1cc2cc(OCCCn3cc(C[CH](C)COC(=O)[CH]4CC CCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; C[C@@H] 1Cc2cn(nn2)CCCOc3cc(cc(c3OC)OC)[C@@H](C( =O)N4CCCC[C@H]4C(=O)OC1)C5CCCCC5; CC1Cc2 cn(nn2)CCCOc3cc(cc(c3OC)OC)C(C(=O)N4CCCC C4C(=O)OC1)C5CCCCC5 |
2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone |
| 16814 | A1IO0 | 1 | C20 H32 N6 O5 | InChI=1S/C20H32N6O5/c1-11 (2)6-13(21)17(28)25-8-12( 27)7-20(3,31)14(9-25)26-1 0-22-16-15(26)18(29)24(5) 19(30)23(16)4/h10-14,27,3 1H,6-9,21H2,1-5H3/t12-,13 +,14+,20+/m1/s1; FFMPXKQMGDIWEU-HFUQMLBGSA-N |
CC(C)CC(C(=O)N1CC(CC(C(C1)n2cnc3c2C(=O)N (C(=O)N3C)C)(C)O)O)N; CC(C)C[C@@H](C(=O) N1C[C@@H](C[C@]([C@H](C1)n2cnc3c2C(=O)N( C(=O)N3C)C)(C)O)O)N; CC(C)C[CH](N)C(=O)N 1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)C(= O)N(C)C(=O)c23; CC(C)C[C@H](N)C(=O)N1C[C @H](O)C[C@](C)(O)[C@H](C1)n2cnc3N(C)C(=O )N(C)C(=O)c23 |
7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione |
| 16815 | A1IO1 | 1 | C18 H26 N6 O7 | InChI=1S/C18H26N6O7/c1-18 (31)5-9(25)6-23(15(28)10( 19)4-12(26)27)7-11(18)24- 8-20-14-13(24)16(29)22(3) 17(30)21(14)2/h8-11,25,31 H,4-7,19H2,1-3H3,(H,26,27 )/t9-,10-,11+,18+/m0/s1; PXCRTYLWTBRTOT-JXKOVVAVSA-N |
CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)C[C]3( C)O)C(=O)[CH](N)CC(O)=O)c2C1=O; CC1(CC(C N(CC1n2cnc3c2C(=O)N(C(=O)N3C)C)C(=O)C(CC (=O)O)N)O)O; C[C@]1(C[C@@H](CN(C[C@H]1n2 cnc3c2C(=O)N(C(=O)N3C)C)C(=O)[C@H](CC(=O )O)N)O)O; CN1C(=O)N(C)c2ncn([C@@H]3CN(C[ C@@H](O)C[C@@]3(C)O)C(=O)[C@@H](N)CC(O)= O)c2C1=O |
(3~{S})-3-azanyl-4-[(3~{R},4~{R},6~{S})-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-4-methyl-4,6-bis(oxidanyl)azepan-1-yl]-4-oxidanylidene-butanoic acid |
| 16816 | A1IO2 CHEMBL5174869 |
2 | C17 H15 N5 O2 | InChI=1S/C17H15N5O2/c23-1 7(24)14(7-10-8-19-13-4-2- 1-3-11(10)13)22-16-12-5-6 -18-15(12)20-9-21-16/h1-6 ,8-9,14,19H,7H2,(H,23,24) (H2,18,20,21,22)/t14-/m1/ s1; NOYXATOHIUTWQW-CQSZACIVSA-N |
OC(=O)[CH](Cc1c[nH]c2ccccc12)Nc3ncnc4[nH ]ccc34; c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)Nc 3c4cc[nH]c4ncn3; c1ccc2c(c1)c(c[nH]2)C[C @@H](C(=O)O)Nc3c4cc[nH]c4ncn3; OC(=O)[C@ H](Cc1c[nH]c2ccccc12)Nc3ncnc4[nH]ccc34 |
(2~{S})-3-(1~{H}-indol-3-yl)-2-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-ylamino)propanoic acid |
| 16817 | A1IO3 | 1 | C11 H13 N5 O | InChI=1S/C11H13N5O/c17-11 (8-10-13-15-16-14-10)12-7 -6-9-4-2-1-3-5-9/h1-5H,6- 8H2,(H,12,17)(H,13,14,15, 16); IGPVTXOEQKVWEI-UHFFFAOYSA-N |
c1ccc(cc1)CCNC(=O)Cc2[nH]nnn2; O=C(Cc1[n H]nnn1)NCCc2ccccc2 |
N-phenethyl-2-(1H-tetrazol-5-yl)acetamide; ~{N}-(2-phenylethyl)-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| 16818 | A1IO5 | 1 | C11 H25 N O4 Si | InChI=1S/C11H25NO4Si/c1-1 7(2,3)5-4-11(7-13)10(16)9 (15)8(14)6-12-11/h8-10,12 -16H,4-7H2,1-3H3/t8-,9+,1 0-,11+/m0/s1; OSJLYAXMCRVPHX-ZRUFSTJUSA-N |
C[Si](C)(C)CC[C@]1([C@H]([C@@H]([C@H](CN 1)O)O)O)CO; C[Si](C)(C)CCC1(C(C(C(CN1)O) O)O)CO; C[Si](C)(C)CC[C]1(CO)NC[CH](O)[C H](O)[CH]1O; C[Si](C)(C)CC[C@]1(CO)NC[C@ H](O)[C@@H](O)[C@@H]1O |
(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(2-trimethylsilylethyl)piperidine-3,4,5-triol |
| 16819 | A1IO6 | 1 | C14 H21 N O4 | InChI=1S/C14H21NO4/c16-9- 14(7-6-10-4-2-1-3-5-10)13 (19)12(18)11(17)8-15-14/h 1-5,11-13,15-19H,6-9H2/t1 1-,12+,13-,14+/m0/s1; UJNGRUVYUAYPHC-RFQIPJPRSA-N |
OC[C@@]1(CCc2ccccc2)NC[C@H](O)[C@@H](O)[ C@@H]1O; OC[C]1(CCc2ccccc2)NC[CH](O)[CH] (O)[CH]1O; c1ccc(cc1)CCC2(C(C(C(CN2)O)O) O)CO; c1ccc(cc1)CC[C@]2([C@H]([C@@H]([C@ H](CN2)O)O)O)CO |
(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(2-phenylethyl)piperidine-3,4,5-triol |
| 16820 | A1IO7 CHEMBL5029066 |
1 | C11 H23 N O4 | InChI=1S/C11H23NO4/c1-2-3 -4-5-11(7-13)10(16)9(15)8 (14)6-12-11/h8-10,12-16H, 2-7H2,1H3/t8-,9+,10-,11+/ m0/s1; ATZIJQARFQJARY-ZRUFSTJUSA-N |
CCCCC[C@]1([C@H]([C@@H]([C@H](CN1)O)O)O) CO; CCCCC[C]1(CO)NC[CH](O)[CH](O)[CH]1O; CCCCCC1(C(C(C(CN1)O)O)O)CO; CCCCC[C@]1( CO)NC[C@H](O)[C@@H](O)[C@@H]1O |
(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-pentyl-piperidine-3,4,5-triol |
| 16821 | A1IO8 | 1 | C14 H27 N O4 | InChI=1S/C14H27NO4/c16-9- 14(7-6-10-4-2-1-3-5-10)13 (19)12(18)11(17)8-15-14/h 10-13,15-19H,1-9H2/t11-,1 2+,13-,14+/m0/s1; RWVDPBYGCCLPCA-RFQIPJPRSA-N |
OC[C]1(CCC2CCCCC2)NC[CH](O)[CH](O)[CH]1O ; OC[C@@]1(CCC2CCCCC2)NC[C@H](O)[C@@H](O )[C@@H]1O; C1CCC(CC1)CCC2(C(C(C(CN2)O)O) O)CO; C1CCC(CC1)CC[C@]2([C@H]([C@@H]([C@ H](CN2)O)O)O)CO |
(2~{R},3~{R},4~{R},5~{S})-2-(2-cyclohexylethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| 16822 | A1IO9 | 1 | C15 H23 N O4 | InChI=1S/C15H23NO4/c17-10 -15(14(20)13(19)12(18)9-1 6-15)8-4-7-11-5-2-1-3-6-1 1/h1-3,5-6,12-14,16-20H,4 ,7-10H2/t12-,13+,14-,15+/ m0/s1; MIBOIJNLAPFANC-LJISPDSOSA-N |
c1ccc(cc1)CCCC2(C(C(C(CN2)O)O)O)CO; c1cc c(cc1)CCC[C@]2([C@H]([C@@H]([C@H](CN2)O) O)O)CO; OC[C@@]1(CCCc2ccccc2)NC[C@H](O)[ C@@H](O)[C@@H]1O; OC[C]1(CCCc2ccccc2)NC[ CH](O)[CH](O)[CH]1O |
(2~{R},3~{R},4~{R},5~{S})-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol |
| 16823 | A1IOA | 2 | C30 H43 N O7 | InChI=1S/C30H43NO7/c1-34- 25-20-23-21-26(28(25)35-2 )37-19-11-17-36-16-9-4-10 -18-38-30(33)24-14-7-8-15 -31(24)29(32)27(23)22-12- 5-3-6-13-22/h4,9,20-22,24 ,27H,3,5-8,10-19H2,1-2H3/ b9-4+/t24-,27-/m0/s1; OTNSABIMHVQNCJ-VUWUZGHLSA-N |
COc1cc2cc(OCCCOC\C=C\CCOC(=O)[C@@H]3CCCC N3C(=O)[C@H]2C4CCCCC4)c1OC; COc1cc2cc(c1 OC)OCCCOCC=CCCOC(=O)C3CCCCN3C(=O)C2C4CCC CC4; COc1cc2cc(c1OC)OCCCOC/C=C/CCOC(=O)[ C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4; COc1cc2 cc(OCCCOCC=CCCOC(=O)[CH]3CCCCN3C(=O)[CH] 2C4CCCCC4)c1OC |
(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione |
| 16824 | A1IOB | 2 | C30 H45 N O7 | InChI=1S/C30H45NO7/c1-34- 25-20-23-21-26(28(25)35-2 )37-19-11-17-36-16-9-4-10 -18-38-30(33)24-14-7-8-15 -31(24)29(32)27(23)22-12- 5-3-6-13-22/h20-22,24,27H ,3-19H2,1-2H3/t24-,27-/m0 /s1; SEXSXNNZGUIQRG-IGKIAQTJSA-N |
COc1cc2cc(c1OC)OCCCOCCCCCOC(=O)[C@@H]3CC CCN3C(=O)[C@H]2C4CCCCC4; COc1cc2cc(OCCCO CCCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCC CC4)c1OC; COc1cc2cc(c1OC)OCCCOCCCCCOC(=O )C3CCCCN3C(=O)C2C4CCCCC4; COc1cc2cc(OCCC OCCCCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC 4)c1OC |
(2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione |
| 16825 | A1IOC | 2 | C29 H41 N O7 | InChI=1S/C29H41NO7/c1-33- 24-19-22-20-25(27(24)34-2 )36-18-17-35-15-9-4-10-16 -37-29(32)23-13-7-8-14-30 (23)28(31)26(22)21-11-5-3 -6-12-21/h4,9,19-21,23,26 H,3,5-8,10-18H2,1-2H3/b9- 4+/t23-,26-/m0/s1; PNDVORSWFXFXQZ-NJKQNCIPSA-N |
COc1cc2cc(OCCOC\C=C\CCOC(=O)[C@@H]3CCCCN 3C(=O)[C@H]2C4CCCCC4)c1OC; COc1cc2cc(c1O C)OCCOC/C=C/CCOC(=O)[C@@H]3CCCCN3C(=O)[C @H]2C4CCCCC4; COc1cc2cc(c1OC)OCCOCC=CCCO C(=O)C3CCCCN3C(=O)C2C4CCCCC4; COc1cc2cc( OCCOCC=CCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4C CCCC4)c1OC |
(2~{S},9~{S},14~{E})-2-cyclohexyl-22,23-dimethoxy-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
| 16826 | A1IOD | 2 | C31 H45 N O9 | InChI=1S/C31H45NO9/c1-20- 25(34)13-9-15-39-23(18-33 )19-40-27-17-22(16-26(37- 2)29(27)38-3)28(21-10-5-4 -6-11-21)30(35)32-14-8-7- 12-24(32)31(36)41-20/h9,1 3,16-17,20-21,23-25,28,33 -34H,4-8,10-12,14-15,18-1 9H2,1-3H3/b13-9+/t20-,23- ,24+,25+,28+/m1/s1; OORFHMIPOAXXDM-MLAXXWBISA-N |
C[C@@H]1[C@H](/C=C/CO[C@@H](COc2cc(cc(c2 OC)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O1)C4 CCCCC4)CO)O; CC1C(C=CCOC(COc2cc(cc(c2OC) OC)C(C(=O)N3CCCCC3C(=O)O1)C4CCCCC4)CO)O; COc1cc2cc(OC[C@@H](CO)OC\C=C\[C@H](O)[C @@H](C)OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4C CCCC4)c1OC; COc1cc2cc(OC[CH](CO)OCC=C[CH ](O)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4 CCCCC4)c1OC |
(2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-18-(hydroxymethyl)-22,23-dimethoxy-12-methyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
| 16827 | A1IOE | 2 | C31 H45 N O8 | InChI=1S/C31H45NO8/c1-20- 19-39-27-18-23(17-26(36-3 )29(27)37-4)28(22-11-6-5- 7-12-22)30(34)32-15-9-8-1 3-24(32)31(35)40-21(2)25( 33)14-10-16-38-20/h10,14, 17-18,20-22,24-25,28,33H, 5-9,11-13,15-16,19H2,1-4H 3/b14-10+/t20-,21+,24-,25 -,28-/m0/s1; GBAZELAFJDJGFT-GUQVTNMCSA-N |
CC1COc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O )OC(C(C=CCO1)O)C)C4CCCCC4; C[C@H]1COc2cc (cc(c2OC)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O )O[C@@H]([C@H](/C=C/CO1)O)C)C4CCCCC4; CO c1cc2cc(OC[CH](C)OCC=C[CH](O)[CH](C)OC(= O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC; CO c1cc2cc(OC[C@H](C)OC\C=C\[C@H](O)[C@@H]( C)OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4 )c1OC |
(2~{S},9~{S},12~{R},13~{S},14~{E},18~{S})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
| 16828 | A1IOF | 2 | C31 H45 N O8 | InChI=1S/C31H45NO8/c1-20- 19-39-27-18-23(17-26(36-3 )29(27)37-4)28(22-11-6-5- 7-12-22)30(34)32-15-9-8-1 3-24(32)31(35)40-21(2)25( 33)14-10-16-38-20/h10,14, 17-18,20-22,24-25,28,33H, 5-9,11-13,15-16,19H2,1-4H 3/b14-10+/t20-,21-,24+,25 +,28+/m1/s1; GBAZELAFJDJGFT-DOMCBWBMSA-N |
C[C@@H]1COc2cc(cc(c2OC)OC)[C@@H](C(=O)N3 CCCC[C@H]3C(=O)O[C@@H]([C@H](/C=C/CO1)O) C)C4CCCCC4; COc1cc2cc(OC[C@@H](C)OC\C=C\ [C@H](O)[C@@H](C)OC(=O)[C@@H]3CCCCN3C(=O )[C@H]2C4CCCCC4)c1OC; CC1COc2cc(cc(c2OC) OC)C(C(=O)N3CCCCC3C(=O)OC(C(C=CCO1)O)C)C 4CCCCC4; COc1cc2cc(OC[CH](C)OCC=C[CH](O) [CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCC C4)c1OC |
(2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
| 16829 | A1IOG | 2 | C32 H47 N O8 | InChI=1S/C32H47NO8/c1-21- 11-10-16-39-25(19-34)20-4 0-28-18-24(17-27(37-3)30( 28)38-4)29(23-12-6-5-7-13 -23)31(35)33-15-9-8-14-26 (33)32(36)41-22(21)2/h10- 11,17-18,21-23,25-26,29,3 4H,5-9,12-16,19-20H2,1-4H 3/b11-10+/t21-,22-,25+,26 +,29+/m1/s1; WLMNBLHLWBXHOW-LQZQEUNFSA-N |
COc1cc2cc(OC[C@H](CO)OC\C=C\[C@@H](C)[C@ @H](C)OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CC CCC4)c1OC; C[C@@H]1/C=C/CO[C@H](COc2cc(c c(c2OC)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O [C@@H]1C)C4CCCCC4)CO; CC1C=CCOC(COc2cc(c c(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OC1C)C4CCC CC4)CO; COc1cc2cc(OC[CH](CO)OCC=C[CH](C) [CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCC C4)c1OC |
(2~{S},9~{S},12~{R},13~{R},14~{E},18~{S})-2-cyclohexyl-18-(hydroxymethyl)-22,23-dimethoxy-12,13-dimethyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
| 16830 | A1IOH | 2 | C32 H47 N O8 | InChI=1S/C32H47NO8/c1-21- 11-10-16-39-25(19-34)20-4 0-28-18-24(17-27(37-3)30( 28)38-4)29(23-12-6-5-7-13 -23)31(35)33-15-9-8-14-26 (33)32(36)41-22(21)2/h10- 11,17-18,21-23,25-26,29,3 4H,5-9,12-16,19-20H2,1-4H 3/b11-10+/t21-,22-,25-,26 +,29+/m1/s1; WLMNBLHLWBXHOW-CARBWLHASA-N |
C[C@@H]1/C=C/CO[C@@H](COc2cc(cc(c2OC)OC) [C@@H](C(=O)N3CCCC[C@H]3C(=O)O[C@@H]1C)C 4CCCCC4)CO; COc1cc2cc(OC[C@@H](CO)OC/C=C /[C@@H](C)[C@@H](C)OC(=O)[C@@H]3CCCCN3C( =O)[C@H]2C4CCCCC4)c1OC; CC1C=CCOC(COc2cc (cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OC1C)C4C CCCC4)CO; COc1cc2cc(OC[CH](CO)OCC=C[CH]( C)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CC CCC4)c1OC |
(2~{S},9~{S},12~{R},13~{R},14~{E},18~{R})-2-cyclohexyl-18-(hydroxymethyl)-22,23-dimethoxy-12,13-dimethyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
| 16831 | A1IOI | 1 | C19 H26 F2 N8 O3 S | InChI=1S/C19H26F2N8O3S/c1 -6-28-10-22-14-15(23-12-7 -13(26-27(12)4)33(5,31)32 )24-17(25-16(14)28)29-9-1 9(20,21)8-11(29)18(2,3)30 /h7,10-11,30H,6,8-9H2,1-5 H3,(H,23,24,25)/t11-/m0/s 1; BBESOAAPFWJUGQ-NSHDSACASA-N |
CCn1cnc2c(Nc3cc(nn3C)[S](C)(=O)=O)nc(nc1 2)N4CC(F)(F)C[CH]4C(C)(C)O; CCn1cnc2c1nc (nc2Nc3cc(nn3C)S(=O)(=O)C)N4CC(C[C@H]4C( C)(C)O)(F)F; CCn1cnc2c1nc(nc2Nc3cc(nn3C) S(=O)(=O)C)N4CC(CC4C(C)(C)O)(F)F; CCn1cn c2c(Nc3cc(nn3C)[S](C)(=O)=O)nc(nc12)N4CC (F)(F)C[C@H]4C(C)(C)O |
2-[(2~{S})-1-[9-ethyl-6-[(2-methyl-5-methylsulfonyl-pyrazol-3-yl)amino]purin-2-yl]-4,4-bis(fluoranyl)pyrrolidin-2-yl]propan-2-ol; 2-[(2S)-1-(9-ethyl-6-{[1-methyl-3-(methylsulfonyl)-1H-pyrazol-5-yl]amino}-9H-purin-2-yl)-4,4-difluoro-2-pyrrolidinyl]-2-propanol |
| 16832 | A1IOK CHEMBL4297315 DB13000 |
1 | C26 H24 N6 O9 S | InChI=1S/C26H24N6O9S/c27- 24(28)12-1-3-17-18(8-12)3 2-25(31-17)16-6-11(7-21(3 4)30-19(26(38)39)10-22(35 )36)5-15(23(16)37)14-9-13 (42(29,40)41)2-4-20(14)33 /h1-6,8-9,19,33,37H,7,10H 2,(H3,27,28)(H,30,34)(H,3 1,32)(H,35,36)(H,38,39)(H 2,29,40,41)/t19-/m0/s1; WDJHHCAKBRKCLW-IBGZPJMESA-N |
c1cc2c(cc1C(=N)N)[nH]c(n2)c3cc(cc(c3O)c4 cc(ccc4O)S(=O)(=O)N)CC(=O)N[C@@H](CC(=O) O)C(=O)O; c1cc2c(cc1C(=N)N)[nH]c(n2)c3cc (cc(c3O)c4cc(ccc4O)S(=O)(=O)N)CC(=O)NC(C C(=O)O)C(=O)O; NC(=N)c1ccc2nc([nH]c2c1)c 3cc(CC(=O)N[CH](CC(O)=O)C(O)=O)cc(c3O)c4 cc(ccc4O)[S](N)(=O)=O; NC(=N)c1ccc2nc([n H]c2c1)c3cc(CC(=O)N[C@@H](CC(O)=O)C(O)=O )cc(c3O)c4cc(ccc4O)[S](N)(=O)=O |
PCI-27483; (2-(5-(6-carbamimidoyl-1H-benzo[d]imidazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-[1,1'-biphenyl]-3-yl)acetyl)-L-aspartic acid; (2~{S})-2-[2-[3-(6-carbamimidoyl-1~{H}-benzimidazol-2-yl)-4-oxidanyl-5-(2-oxidanyl-5-sulfamoyl-phenyl)phenyl]ethanoylamino]butanedioic acid |
| 16833 | A1IOL | 2 | C22 H35 N7 O6 | InChI=1S/C22H35N7O6/c1-13 (30)24-8-6-5-7-15(23)19(3 2)28-10-14(31)9-22(2,35)1 6(11-28)29-12-25-18-17(29 )20(33)27(4)21(34)26(18)3 /h12,14-16,31,35H,5-11,23 H2,1-4H3,(H,24,30)/t14-,1 5+,16+,22+/m1/s1; GVNVRCRSNWOHEA-YDGQEPMXSA-N |
CC(=O)NCCCC[C@@H](C(=O)N1C[C@@H](C[C@]([ C@H](C1)n2cnc3c2C(=O)N(C(=O)N3C)C)(C)O)O )N; CC(=O)NCCCCC(C(=O)N1CC(CC(C(C1)n2cnc 3c2C(=O)N(C(=O)N3C)C)(C)O)O)N; CN1C(=O)N (C)c2ncn([CH]3CN(C[CH](O)C[C]3(C)O)C(=O) [CH](N)CCCCNC(C)=O)c2C1=O; CN1C(=O)N(C)c 2ncn([C@H]3CN(C[C@H](O)C[C@]3(C)O)C(=O)[ C@@H](N)CCCCNC(C)=O)c2C1=O |
~{N}-[(5~{S})-5-azanyl-6-[(3~{S},4~{S},6~{R})-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-4-methyl-4,6-bis(oxidanyl)azepan-1-yl]-6-oxidanylidene-hexyl]ethanamide |
| 16834 | A1IOM | 2 | C14 H12 N2 O6 V | InChI=1S/C14H14N2O4.2O.V/ c1-2-19-11-6-3-5-10(13(11 )17)9-15-16-14(18)12-7-4- 8-20-12;;;/h3-9,17H,2H2,1 H3,(H,16,18);;;/q;;;+2/p- 2/b15-9+;;;; CYYWESREVLZULB-SFRYUHGMSA-L |
CCOc1cccc2C=NN=C(O[V](=O)(=O)Oc12)c3occc 3; CCOc1cccc2c1O[V]3(=O)(=O)[N](=C2)N=C( O3)c4ccco4 |
dioxidovanadium(V) complex with furan-2-carboxylic acid (3-ethoxy-2-hydroxybenzylidene)hydrazide; 13-ethoxy-5-(furan-2-yl)-2,4$l^{3}-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide |
| 16835 | A1ION | 1 | C14 H12 N2 O6 V | InChI=1S/C14H14N2O4.2O.V/ c1-9(11-8-10(19-2)5-6-12( 11)17)15-16-14(18)13-4-3- 7-20-13;;;/h3-8,17H,1-2H3 ,(H,16,18);;;/q;;;+2/p-2/ b15-9+;;;; UVZQNCVDJKEIHV-SFRYUHGMSA-L |
COc1ccc2O[V](=O)(=O)OC(=NN=C(C)c2c1)c3oc cc3; CC1=[N]2N=C(O[V]2(=O)(=O)Oc3c1cc(cc 3)OC)c4ccco4 |
dioxidovanadium(V) complex with (E)-N'-(1-(2-hydroxy-5-methoxyphenyl)ethylidene)furan-2-carbohydrazide; 5-(furan-2-yl)-11-methoxy-8-methyl-2,4$l^{3}-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide |
| 16836 | A1IOO | 4 | C19 H16 Br N O3 | InChI=1S/C19H16BrNO3/c1-1 2-15(8-10-18(22)23)16-11- 14(20)7-9-17(16)21(12)19( 24)13-5-3-2-4-6-13/h2-7,9 ,11H,8,10H2,1H3,(H,22,23); JNJZEKLLVASXOS-UHFFFAOYSA-N |
Cc1n(C(=O)c2ccccc2)c3ccc(Br)cc3c1CCC(O)= O; Cc1c(c2cc(ccc2n1C(=O)c3ccccc3)Br)CCC( =O)O |
3-[5-bromanyl-2-methyl-1-(phenylcarbonyl)indol-3-yl]propanoic acid |
| 16837 | A1IOP | 1 | C18 H32 N8 O3 S | InChI=1S/C18H32N8O3S/c1-5 -14(12(4)27)22-18-23-16(1 5-17(24-18)25(7-3)11-19-1 5)21-13-8-9-26(10-13)30(2 8,29)20-6-2/h11-14,20,27H ,5-10H2,1-4H3,(H2,21,22,2 3,24); ROGNUCVYDNPNJI-UHFFFAOYSA-N |
CCC(C(C)O)Nc1nc(c2c(n1)n(cn2)CC)NC3CCN(C 3)S(=O)(=O)NCC; CCN[S](=O)(=O)N1CC[CH](C 1)Nc2nc(N[CH](CC)[CH](C)O)nc3n(CC)cnc23; CCN[S](=O)(=O)N1CC[C@@H](C1)Nc2nc(N[C@@ H](CC)[C@@H](C)O)nc3n(CC)cnc23; CC[C@@H] ([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)CC)N[C@H] 3CCN(C3)S(=O)(=O)NCC |
(3~{S})-~{N}-ethyl-3-[[9-ethyl-2-[[(2~{R},3~{S})-2-oxidanylpentan-3-yl]amino]purin-6-yl]amino]pyrrolidine-1-sulfonamide |
| 16838 | A1IOQ CHEMBL23903 |
1 | C9 H11 Cl N4 O2 | InChI=1S/C9H11ClN4O2/c1-1 2-7-6(8(15)13(2)9(12)16)1 4(4-3-10)5-11-7/h5H,3-4H2 ,1-2H3; QCIARNIKNKKHFH-UHFFFAOYSA-N |
CN1C(=O)N(C)c2ncn(CCCl)c2C1=O; CN1c2c(n( cn2)CCCl)C(=O)N(C1=O)C |
7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione |
| 16839 | A1IOR | 2 | C16 H26 N4 O3 | InChI=1S/C16H26N4O3/c1-11 (2)8-13(21)15(23)18-10-16 (5-3-6-16)9-17-14(22)12-4 -7-19-20-12/h4,7,11,13,21 H,3,5-6,8-10H2,1-2H3,(H,1 7,22)(H,18,23)(H,19,20)/t 13-/m0/s1; KRVZBIVUDPLYIR-ZDUSSCGKSA-N |
CC(C)C[C@@H](C(=O)NCC1(CCC1)CNC(=O)c2cc[ nH]n2)O; CC(C)C[C@H](O)C(=O)NCC1(CCC1)CN C(=O)c2cc[nH]n2; CC(C)CC(C(=O)NCC1(CCC1) CNC(=O)c2cc[nH]n2)O; CC(C)C[CH](O)C(=O)N CC1(CCC1)CNC(=O)c2cc[nH]n2 |
~{N}-[[1-[[[(2~{S})-4-methyl-2-oxidanyl-pentanoyl]amino]methyl]cyclobutyl]methyl]-1~{H}-pyrazole-3-carboxamide |
| 16840 | A1IOS CHEMBL2079587 DB06718 |
1 | C21 H32 N2 O | InChI=1S/C21H32N2O/c1-19- 11-13-12-22-23-18(13)10-1 4(19)4-5-15-16(19)6-8-20( 2)17(15)7-9-21(20,3)24/h1 2,14-17,24H,4-11H2,1-3H3, (H,22,23)/t14-,15+,16-,17 -,19-,20-,21-/m0/s1; LKAJKIOFIWVMDJ-IYRCEVNGSA-N |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O) CC[C@@H]4[C@@]3(Cc5c[nH]nc5C4)C; C[C@]1( O)CC[C@H]2[C@@H]3CC[C@H]4Cc5n[nH]cc5C[C@ ]4(C)[C@H]3CC[C@]12C; C[C]1(O)CC[CH]2[CH ]3CC[CH]4Cc5n[nH]cc5C[C]4(C)[CH]3CC[C]12 C; CC12CCC3C(C1CCC2(C)O)CCC4C3(Cc5c[nH]n c5C4)C |
stanozolol |
| 16841 | A1IOV | 1 | C20 H32 N6 O5 | InChI=1S/C20H32N6O5/c1-11 (2)6-13(21)17(28)25-8-12( 27)7-20(3,31)14(9-25)26-1 0-22-16-15(26)18(29)24(5) 19(30)23(16)4/h10-14,27,3 1H,6-9,21H2,1-5H3/t12-,13 -,14+,20+/m0/s1; FFMPXKQMGDIWEU-LKWXMQFFSA-N |
CC(C)CC(C(=O)N1CC(CC(C(C1)n2cnc3c2C(=O)N (C(=O)N3C)C)(C)O)O)N; CC(C)C[C@H](N)C(=O )N1C[C@@H](O)C[C@@](C)(O)[C@@H](C1)n2cnc 3N(C)C(=O)N(C)C(=O)c23; CC(C)C[C@@H](C(= O)N1C[C@H](C[C@@]([C@@H](C1)n2cnc3c2C(=O )N(C(=O)N3C)C)(C)O)O)N; CC(C)C[CH](N)C(= O)N1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C) C(=O)N(C)C(=O)c23 |
7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione |
| 16842 | A1IOW CHEMBL1903971 |
1 | C18 H26 O2 | InChI=1S/C18H26O2/c1-13(2 )18-10-9-17(4,20-18)16(11 -18)19-12-15-8-6-5-7-14(1 5)3/h5-8,13,16H,9-12H2,1- 4H3/t16?,17-,18+/m0/s1; QMTNOLKHSWIQBE-UQJFVLDMSA-N |
CC(C)[C]12CC[C](C)(O1)[CH](C2)OCc3ccccc3 C; CC(C)[C@]12CC[C@](C)(O1)[C@@H](C2)OCc 3ccccc3C; Cc1ccccc1COC2CC3(CCC2(O3)C)C(C )C; Cc1ccccc1CO[C@@H]2C[C@]3(CC[C@@]2(O3 )C)C(C)C |
(1~{S},2~{R},4~{R})-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane |
| 16843 | A1IOX | 1 | C9 H9 N5 O | InChI=1S/C9H9N5O/c15-9(6- 8-11-13-14-12-8)10-7-4-2- 1-3-5-7/h1-5H,6H2,(H,10,1 5)(H,11,12,13,14); WSZXJUNYWNMAOE-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)Cc2[nH]nnn2; O=C(Cc1[nH] nnn1)Nc2ccccc2 |
N-phenyl-2-(1H-tetrazol-5-yl)acetamide; ~{N}-phenyl-2-(1~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| 16844 | A1IOZ | 1 | C22 H28 N6 O5 | InChI=1S/C22H28N6O5/c1-22 (33)8-15(29)10-27(19(30)1 4-6-4-5-13(7-14)9-23)11-1 6(22)28-12-24-18-17(28)20 (31)26(3)21(32)25(18)2/h4 -7,12,15-16,29,33H,8-11,2 3H2,1-3H3/t15-,16+,22+/m1 /s1; FXPPOWIXSPMXLU-VVBPWWLESA-N |
CC1(CC(CN(CC1n2cnc3c2C(=O)N(C(=O)N3C)C)C (=O)c4cccc(c4)CN)O)O; CN1C(=O)N(C)c2ncn( [CH]3CN(C[CH](O)C[C]3(C)O)C(=O)c4cccc(CN )c4)c2C1=O; C[C@@]1(C[C@H](CN(C[C@@H]1n2 cnc3c2C(=O)N(C(=O)N3C)C)C(=O)c4cccc(c4)C N)O)O; CN1C(=O)N(C)c2ncn([C@H]3CN(C[C@H] (O)C[C@]3(C)O)C(=O)c4cccc(CN)c4)c2C1=O |
7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione |
| 16845 | A1IP0 | 2 | C29 H17 Cl2 F3 N2 O4 | InChI=1S/C29H17Cl2F3N2O4/ c30-18-10-12-23-20(14-18) 26(35-36(23)27(37)25-21(2 9(32,33)34)7-4-8-22(25)31 )17-9-11-19(28(38)39)24(1 3-17)40-15-16-5-2-1-3-6-1 6/h1-14H,15H2,(H,38,39); KUOOSJGBBCNFIV-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2C(=O)O)c3c4cc(ccc4n (n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl; OC(=O) c1ccc(cc1OCc2ccccc2)c3nn(C(=O)c4c(Cl)ccc c4C(F)(F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-2-phenylmethoxy-benzoic acid |
| 16846 | A1IP1 | 1 | C33 H30 Cl2 F3 N3 O6 | InChI=1S/C33H30Cl2F3N3O6/ c1-32(2,3)47-31(45)40-13- 11-18(12-14-40)17-46-26-1 5-19(30(43)44)7-9-21(26)2 8-22-16-20(34)8-10-25(22) 41(39-28)29(42)27-23(33(3 6,37)38)5-4-6-24(27)35/h4 -10,15-16,18H,11-14,17H2, 1-3H3,(H,43,44); PZSJSVHBQVEBOM-UHFFFAOYSA-N |
CC(C)(C)OC(=O)N1CCC(CC1)COc2cc(ccc2c3nn( C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35) C(O)=O; CC(C)(C)OC(=O)N1CCC(CC1)COc2cc(c cc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F) (F)F)Cl)C(=O)O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid |
| 16847 | A1IP3 | 2 | C28 H18 Cl2 N2 O4 | InChI=1S/C28H18Cl2N2O4/c2 9-19-11-13-24-22(15-19)26 (31-32(24)27(33)20-8-4-5- 9-23(20)30)21-12-10-18(28 (34)35)14-25(21)36-16-17- 6-2-1-3-7-17/h1-15H,16H2, (H,34,35); XDNOEXMPEAPANB-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(= O)c5ccccc5Cl)Cl)C(=O)O; OC(=O)c1ccc(c(OC c2ccccc2)c1)c3nn(C(=O)c4ccccc4Cl)c5ccc(C l)cc35 |
4-[5-chloranyl-1-(2-chlorophenyl)carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16848 | A1IP4 | 1 | C29 H18 Cl2 F3 N3 O3 | InChI=1S/C29H18Cl2F3N3O3/ c30-18-10-12-24-21(14-18) 26(36-37(24)27(38)25-22(2 9(32,33)34)7-4-8-23(25)31 )20-11-9-16(28(39)40)13-1 7(20)15-35-19-5-2-1-3-6-1 9/h1-14,35H,15H2,(H,39,40 ); OSFUNYOHKCIHLP-UHFFFAOYSA-N |
OC(=O)c1ccc(c(CNc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1ccc( cc1)NCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c( cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(phenylazanylmethyl)benzoic acid |
| 16849 | A1IP5 | 2 | C30 H17 Cl2 F3 N2 O6 | InChI=1S/C30H17Cl2F3N2O6/ c31-18-8-10-23-20(13-18)2 6(36-37(23)27(38)25-21(30 (33,34)35)5-2-6-22(25)32) 19-9-7-17(29(41)42)12-24( 19)43-14-15-3-1-4-16(11-1 5)28(39)40/h1-13H,14H2,(H ,39,40)(H,41,42); XHSUIRBEBQRQNC-UHFFFAOYSA-N |
c1cc(cc(c1)C(=O)O)COc2cc(ccc2c3c4cc(ccc4 n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O ; OC(=O)c1cccc(COc2cc(ccc2c3nn(C(=O)c4c( Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1 |
3-[(3-carboxyphenyl)methoxy]-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid |
| 16850 | A1IP6 | 1 | C30 H17 Cl F3 N3 O4 | InChI=1S/C30H17ClF3N3O4/c 31-23-8-4-7-22(30(32,33)3 4)26(23)28(38)37-24-13-18 (15-35)9-11-20(24)27(36-3 7)21-12-10-19(29(39)40)14 -25(21)41-16-17-5-2-1-3-6 -17/h1-14H,16H2,(H,39,40); IOFNLZUNRRUVMC-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2c3c4ccc(cc4n(n3)C(= O)c5c(cccc5Cl)C(F)(F)F)C#N)C(=O)O; OC(=O )c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl) cccc4C(F)(F)F)c5cc(ccc35)C#N |
4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-6-cyano-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16851 | A1IP7 | 2 | C29 H17 Cl2 F3 N2 O4 | InChI=1S/C29H17Cl2F3N2O4/ c30-18-10-12-19-23(14-18) 36(27(37)25-21(29(32,33)3 4)7-4-8-22(25)31)35-26(19 )20-11-9-17(28(38)39)13-2 4(20)40-15-16-5-2-1-3-6-1 6/h1-14H,15H2,(H,38,39); IHJQQRWMQSTIRA-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5cc(Cl)ccc35; c1ccc( cc1)COc2cc(ccc2c3c4ccc(cc4n(n3)C(=O)c5c( cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[6-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16852 | A1IP8 | 2 | C28 H17 Cl3 N2 O4 | InChI=1S/C28H17Cl3N2O4/c2 9-18-10-12-23-20(14-18)26 (32-33(23)27(34)25-21(30) 7-4-8-22(25)31)19-11-9-17 (28(35)36)13-24(19)37-15- 16-5-2-1-3-6-16/h1-14H,15 H2,(H,35,36); PKSLPWWJEIPYJF-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(= O)c5c(cccc5Cl)Cl)Cl)C(=O)O; OC(=O)c1ccc( c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4Cl )c5ccc(Cl)cc35 |
4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-chloranyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16853 | A1IP9 | 1 | C29 H17 Cl2 F3 N2 O4 | InChI=1S/C29H17Cl2F3N2O4/ c30-21-10-5-9-20(29(32,33 )34)24(21)27(37)36-26-19( 8-4-11-22(26)31)25(35-36) 18-13-12-17(28(38)39)14-2 3(18)40-15-16-6-2-1-3-7-1 6/h1-14H,15H2,(H,38,39); UWDSLRWKGRPNFB-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5c(Cl)cccc35; c1ccc( cc1)COc2cc(ccc2c3c4cccc(c4n(n3)C(=O)c5c( cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[7-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16854 | A1IPA | 1 | C8 H17 N O5 | InChI=1S/C8H17NO5/c10-2-1 -8(4-11)7(14)6(13)5(12)3- 9-8/h5-7,9-14H,1-4H2/t5-, 6+,7-,8+/m0/s1; UKHJGUGGTKLIIF-FKSUSPILSA-N |
C1C(C(C(C(N1)(CCO)CO)O)O)O; OCC[C]1(CO)N C[CH](O)[CH](O)[CH]1O; OCC[C@]1(CO)NC[C@ H](O)[C@@H](O)[C@@H]1O; C1[C@@H]([C@H]([ C@@H]([C@@](N1)(CCO)CO)O)O)O |
(2~{R},3~{R},4~{R},5~{S})-2-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| 16855 | A1IPB | 1 | C18 H31 N O4 | InChI=1S/C18H31NO4/c20-10 -18(16(23)15(22)14(21)9-1 9-18)2-1-17-6-11-3-12(7-1 7)5-13(4-11)8-17/h11-16,1 9-23H,1-10H2/t11-,12+,13- ,14-,15+,16-,17+,18+/m0/s 1; YQJHNXNNSKQXQN-IFCQLEMFSA-N |
OC[C@@]1(CCC23CC4CC(CC(C4)C2)C3)NC[C@H]( O)[C@@H](O)[C@@H]1O; C1C2CC3CC1CC(C2)(C3 )CCC4(C(C(C(CN4)O)O)O)CO; C1[C@@H]([C@H] ([C@@H]([C@@](N1)(CCC23CC4CC(C2)CC(C4)C3 )CO)O)O)O; OC[C]1(CCC23CC4CC(CC(C4)C2)C3 )NC[CH](O)[CH](O)[CH]1O |
(2R,3R,4R,5S)-2-[2-(1-adamantyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol |
| 16856 | A1IPC CHEMBL1641743 |
1 | C12 H25 N O3 | InChI=1S/C12H25NO3/c1-2-3 -4-5-6-7-9-11(15)12(16)10 (8-14)13-9/h9-16H,2-8H2,1 H3/t9-,10-,11-,12-/m0/s1; ZHCDSIQDIBIMCV-BJDJZHNGSA-N |
CCCCCCCC1C(C(C(N1)CO)O)O; CCCCCCC[CH]1N[ CH](CO)[CH](O)[CH]1O; CCCCCCC[C@@H]1N[C@ @H](CO)[C@H](O)[C@H]1O; CCCCCCC[C@H]1[C@ @H]([C@H]([C@@H](N1)CO)O)O |
(2~{S},3~{S},4~{S},5~{S})-2-heptyl-5-(hydroxymethyl)pyrrolidine-3,4-diol |
| 16857 | A1IPD | 1 | C17 H15 Cl2 N3 O3 | InChI=1S/C17H15Cl2N3O3/c1 8-12-3-1-10(7-13(12)19)8- 22-9-11(2-6-16(22)24)20-1 7(25)14-4-5-15(23)21-14/h 1-3,6-7,9,14H,4-5,8H2,(H, 20,25)(H,21,23)/t14-/m0/s 1; JMWNXVYWXDVAAF-AWEZNQCLSA-N |
c1cc(c(cc1CN2C=C(C=CC2=O)NC(=O)C3CCC(=O) N3)Cl)Cl; c1cc(c(cc1CN2C=C(C=CC2=O)NC(=O )[C@@H]3CCC(=O)N3)Cl)Cl; Clc1ccc(CN2C=C( NC(=O)[CH]3CCC(=O)N3)C=CC2=O)cc1Cl; Clc1 ccc(CN2C=C(NC(=O)[C@@H]3CCC(=O)N3)C=CC2= O)cc1Cl |
N-(1-(3,4-dichlorobenzyl)-6-oxo-1,6-dihydropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide; (2S)-N-[1-[(3,4-dichlorophenyl)methyl]-6-oxidanylidene-pyridin-3-yl]-5-oxidanylidene-pyrrolidine-2-carboxamide |
| 16858 | A1IPE | 2 | C20 H19 Cl2 N O2 | InChI=1S/C20H19Cl2NO2/c1- 13-18(14-7-5-4-6-8-14)19( 24)23(12-25-13)20(2,3)15- 9-16(21)11-17(22)10-15/h4 -11H,12H2,1-3H3; FCOHEOSCARXMMS-UHFFFAOYSA-N |
CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2 )c3ccccc3; CC1=C(C(=O)N(CO1)C(C)(C)c2cc( cc(c2)Cl)Cl)c3ccccc3 |
Oxaziclomefone; 3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one |
| 16859 | A1IPF | 1 | C33 H44 Cl2 N4 O3 Ru S | InChI=1S/C23H31N4O2S.C10H 13O.2ClH.Ru/c1-14-7-16(3) 22(17(4)8-14)26-13-27(23- 18(5)9-15(2)10-19(23)6)21 -12-25-30(28,29)24-11-20( 21)26;1-8(2)11-10-7-5-4-6 -9(10)3;;;/h7-10,13,20-21 ,24-25H,11-12H2,1-6H3;4-8 H,3H2,1-2H3;2*1H;/q;;;;+3 /p-2/t20-,21-;;;;/m1..../ s1; IJZBEQMJAGTRMB-ZPVXIRCVSA-L |
Cc1cc(c(c(c1)C)N2C3CNS(=O)(=O)NCC3N(C2[R u]4(Cc5ccccc5[O+]4C(C)C)(Cl)Cl)c6c(cc(cc 6C)C)C)C; Cc1cc(c(c(c1)C)N2[C@@H]3CNS(=O )(=O)NC[C@H]3N(C2[Ru]4(Cc5ccccc5[O+]4C(C )C)(Cl)Cl)c6c(cc(cc6C)C)C)C; CC(C)[O+]1c 2ccccc2C[Ru]1(Cl)(Cl)C3N([C@@H]4CN[S](=O )(=O)NC[C@H]4N3c5c(C)cc(C)cc5C)c6c(C)cc( C)cc6C; CC(C)[O+]1c2ccccc2C[Ru]1(Cl)(Cl) C3N([CH]4CN[S](=O)(=O)NC[CH]4N3c5c(C)cc( C)cc5C)c6c(C)cc(C)cc6C |
(3~{a}~{S},8~{a}~{R})-2-[8,8-bis(chloranyl)-7-propan-2-yl-7$l^{3}-oxa-8$l^{5}-ruthenabicyclo[4.3.0]nona-1(6),2,4-trien-8-yl]-1,3-bis(2,4,6-trimethylphenyl)-3~{a},7,8,8~{a}-tetrahydroimidazo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide |
| 16860 | A1IPG | 2 | C23 H25 N3 O3 S | InChI=1S/C23H25N3O3S/c1-1 7(27)26-13-11-18(16-26)15 -25(2)30(28,29)22-9-7-19( 8-10-22)21-6-5-20-4-3-12- 24-23(20)14-21/h3-10,12,1 4,18H,11,13,15-16H2,1-2H3 /t18-/m1/s1; ODJLDVQUQRRAAY-GOSISDBHSA-N |
CN(C[CH]1CCN(C1)C(C)=O)[S](=O)(=O)c2ccc( cc2)c3ccc4cccnc4c3; CC(=O)N1CCC(C1)CN(C) S(=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3; CC(=O )N1CC[C@@H](C1)CN(C)S(=O)(=O)c2ccc(cc2)c 3ccc4cccnc4c3; CN(C[C@H]1CCN(C1)C(C)=O)[ S](=O)(=O)c2ccc(cc2)c3ccc4cccnc4c3 |
~{N}-[[(3~{S})-1-ethanoylpyrrolidin-3-yl]methyl]-~{N}-methyl-4-quinolin-7-yl-benzenesulfonamide |
| 16861 | A1IPH CHEMBL2028661 DB08822 |
1 | C30 H24 N4 O8 | InChI=1S/C30H24N4O8/c1-3- 38-28-31-23-10-6-9-22(27( 35)39-16-24-17(2)40-30(37 )41-24)25(23)34(28)15-18- 11-13-19(14-12-18)20-7-4- 5-8-21(20)26-32-29(36)42- 33-26/h4-14H,3,15-16H2,1- 2H3,(H,32,33,36); QJFSABGVXDWMIW-UHFFFAOYSA-N |
CCOc1nc2cccc(C(=O)OCC3=C(C)OC(=O)O3)c2n1 Cc4ccc(cc4)c5ccccc5C6=NOC(=O)N6; CCOc1nc 2cccc(c2n1Cc3ccc(cc3)c4ccccc4C5=NOC(=O)N 5)C(=O)OCC6=C(OC(=O)O6)C |
(5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl 2-ethoxy-3-[[4-[2-(5-oxidanylidene-4~{H}-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate |
| 16862 | A1IPI CHEMBL1200694 DB01236 |
0 | C4 H3 F7 O | InChI=1S/C4H3F7O/c5-1-12- 2(3(6,7)8)4(9,10)11/h2H,1 H2; DFEYYRMXOJXZRJ-UHFFFAOYSA-N |
FCOC(C(F)(F)F)C(F)(F)F; C(OC(C(F)(F)F)C( F)(F)F)F |
sevoflurane; 1,1,1,3,3,3-hexakis(fluoranyl)-2-(fluoranylmethoxy)propane; sevorane |
| 16863 | A1IPJ CHEMBL5433380 |
1 | C19 H23 F3 N4 O | InChI=1S/C19H23F3N4O/c1-3 -26-8-4-5-14(11-26)23-17- 7-6-15(24-25-17)18-12(2)9 -13(10-16(18)27)19(20,21) 22/h6-7,9-10,14,27H,3-5,8 ,11H2,1-2H3,(H,23,25)/t14 -/m1/s1; UVVZGYXCKGWWCC-CQSZACIVSA-N |
CCN1CCC[CH](C1)Nc2ccc(nn2)c3c(C)cc(cc3O) C(F)(F)F; CCN1CCC[C@H](C1)Nc2ccc(nn2)c3c (C)cc(cc3O)C(F)(F)F; CCN1CCC[C@H](C1)Nc2 ccc(nn2)c3c(cc(cc3O)C(F)(F)F)C; CCN1CCCC (C1)Nc2ccc(nn2)c3c(cc(cc3O)C(F)(F)F)C |
2-[6-[[(3R)-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol |
| 16864 | A1IPK | 2 | C26 H34 N2 O5 | InChI=1S/C26H34N2O5/c1-5- 24(29)22(15-19-10-7-6-8-1 1-19)28-26(31)23(14-18(2) 3)27-25(30)17-33-21-13-9- 12-20(16-21)32-4/h6-13,16 ,18,22-23H,5,14-15,17H2,1 -4H3,(H,27,30)(H,28,31)/t 22-,23-/m0/s1; SKKDMKCPTJKHEB-GOTSBHOMSA-N |
CCC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O) COc2cccc(c2)OC; CCC(=O)[C@H](Cc1ccccc1)N C(=O)[C@H](CC(C)C)NC(=O)COc2cccc(OC)c2; CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C) C)NC(=O)COc2cccc(c2)OC; CCC(=O)[CH](Cc1c cccc1)NC(=O)[CH](CC(C)C)NC(=O)COc2cccc(O C)c2 |
(2S)-2-[2-(3-methoxyphenoxy)ethanoylamino]-4-methyl-N-[(2S)-3-oxidanylidene-1-phenyl-pentan-2-yl]pentanamide |
| 16865 | A1IPL | 0 | C9 H13 B N O5 | InChI=1S/C9H13BNO5/c11-8( 9(12)13)5-6-1-3-7(4-2-6)1 0(14,15)16/h1-4,8,14-16H, 5,11H2,(H,12,13)/t8-/m0/s 1; RKKVYNKEKVALLU-QMMMGPOBSA-N |
B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)(O)O; B( c1ccc(cc1)CC(C(=O)O)N)(O)(O)O; N[C@@H](C c1ccc(cc1)[B](O)(O)O)C(O)=O; N[CH](Cc1cc c(cc1)[B](O)(O)O)C(O)=O |
para-boronophenylalanine; [4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron |
| 16866 | A1IPM | 4 | C9 H14 N3 O | InChI=1S/C9H13N3O/c1-6-4- 8(11-2)12(3)5-7(6)9(10)13 /h4-5H,1-3H3,(H2,10,13)/p +1; MGBQINHGHQAWPO-UHFFFAOYSA-O |
Cc1cc([n+](cc1C(=O)N)C)NC; CNc1cc(C)c(c[ n+]1C)C(N)=O |
1,4-dimethyl-6-(methylamino)pyridine-3-carboxamide |
| 16867 | A1IPO | 2 | C8 H11 N O | InChI=1S/C8H11NO/c1-6-7(2 )9-5-4-8(6)10-3/h4-5H,1-3 H3; BZAARVXVDWLOFK-UHFFFAOYSA-N |
Cc1c(nccc1OC)C; COc1ccnc(C)c1C | 4-methoxy-2,3-dimethyl-pyridine |
| 16868 | A1IPP | 2 | C29 H17 Cl2 F3 N2 O4 | InChI=1S/C29H17Cl2F3N2O4/ c30-18-10-12-23-20(14-18) 26(35-36(23)27(37)25-21(2 9(32,33)34)7-4-8-22(25)31 )19-11-9-17(28(38)39)13-2 4(19)40-15-16-5-2-1-3-6-1 6/h1-14H,15H2,(H,38,39); QZDNXZAERKELRX-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1ccc( cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c( cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16869 | A1IPQ | 1 | C30 H17 Cl F6 N2 O5 | InChI=1S/C30H17ClF6N2O5/c 31-22-8-4-7-21(29(32,33)3 4)25(22)27(40)39-23-12-10 -18(44-30(35,36)37)14-20( 23)26(38-39)19-11-9-17(28 (41)42)13-24(19)43-15-16- 5-2-1-3-6-16/h1-14H,15H2, (H,41,42); BNWWFROHJONVBL-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(= O)c5c(cccc5Cl)C(F)(F)F)OC(F)(F)F)C(=O)O; OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c 4c(Cl)cccc4C(F)(F)F)c5ccc(OC(F)(F)F)cc35 |
4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-(trifluoromethyloxy)indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16870 | A1IPR | 1 | C30 H17 Cl F6 N2 O4 | InChI=1S/C30H17ClF6N2O4/c 31-22-8-4-7-21(30(35,36)3 7)25(22)27(40)39-23-14-18 (29(32,33)34)10-12-19(23) 26(38-39)20-11-9-17(28(41 )42)13-24(20)43-15-16-5-2 -1-3-6-16/h1-14H,15H2,(H, 41,42); CGJLEBFMPUVSCF-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5cc(ccc35)C(F)(F)F; c1ccc(cc1)COc2cc(ccc2c3c4ccc(cc4n(n3)C(= O)c5c(cccc5Cl)C(F)(F)F)C(F)(F)F)C(=O)O |
4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-6-(trifluoromethyl)indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16871 | A1IPS | 2 | C31 H21 Cl2 F3 N2 O6 | InChI=1S/C31H21Cl2F3N2O6/ c1-42-24-8-3-5-17(28(24)4 3-2)15-44-25-13-16(30(40) 41)9-11-19(25)27-20-14-18 (32)10-12-23(20)38(37-27) 29(39)26-21(31(34,35)36)6 -4-7-22(26)33/h3-14H,15H2 ,1-2H3,(H,40,41); ZUYOKBQICCCCIH-UHFFFAOYSA-N |
COc1cccc(c1OC)COc2cc(ccc2c3c4cc(ccc4n(n3 )C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; CO c1cccc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4 C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1OC |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(2,3-dimethoxyphenyl)methoxy]benzoic acid |
| 16872 | A1IPT | 2 | C31 H20 Cl2 F3 N3 O5 | InChI=1S/C31H20Cl2F3N3O5/ c1-37-28(40)17-5-2-4-16(1 2-17)15-44-25-13-18(30(42 )43)8-10-20(25)27-21-14-1 9(32)9-11-24(21)39(38-27) 29(41)26-22(31(34,35)36)6 -3-7-23(26)33/h2-14H,15H2 ,1H3,(H,37,40)(H,42,43); VBRQXIPDXSTPRY-UHFFFAOYSA-N |
CNC(=O)c1cccc(COc2cc(ccc2c3nn(C(=O)c4c(C l)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1; CNC(=O)c1cccc(c1)COc2cc(ccc2c3c4cc(ccc4 n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(methylcarbamoyl)phenyl]methoxy]benzoic acid |
| 16873 | A1IPU | 2 | C30 H17 Cl2 F3 N2 O6 | InChI=1S/C30H17Cl2F3N2O6/ c31-17-6-8-22-19(12-17)27 (36-37(22)28(38)26-20(30( 33,34)35)2-1-3-21(26)32)1 8-7-5-16(29(39)40)11-24(1 8)41-13-15-4-9-23-25(10-1 5)43-14-42-23/h1-12,14,42 H,13H2,(H,39,40); IMYWYUCUSTYKTL-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccc3[oH]coc3c2)c1)c4nn (C(=O)c5c(Cl)cccc5C(F)(F)F)c6ccc(Cl)cc46 ; c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4 ccc(cc4OCc5ccc6c(c5)OC=[OH]6)C(=O)O)Cl)C (F)(F)F |
3-(1,3-benzodioxol-5-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid |
| 16874 | A1IPV | 2 | C30 H16 Cl2 F6 N2 O5 | InChI=1S/C30H16Cl2F6N2O5/ c31-17-8-10-23-20(13-17)2 6(39-40(23)27(41)25-21(29 (33,34)35)5-2-6-22(25)32) 19-9-7-16(28(42)43)12-24( 19)44-14-15-3-1-4-18(11-1 5)45-30(36,37)38/h1-13H,1 4H2,(H,42,43); OYWMVGCZKHNEKM-UHFFFAOYSA-N |
c1cc(cc(c1)OC(F)(F)F)COc2cc(ccc2c3c4cc(c cc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(= O)O; OC(=O)c1ccc(c(OCc2cccc(OC(F)(F)F)c2 )c1)c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc (Cl)cc35 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(trifluoromethyloxy)phenyl]methoxy]benzoic acid |
| 16875 | A1IPW | 2 | C30 H20 Cl F3 N2 O4 | InChI=1S/C30H20ClF3N2O4/c 1-17-10-13-24-21(14-17)27 (35-36(24)28(37)26-22(30( 32,33)34)8-5-9-23(26)31)2 0-12-11-19(29(38)39)15-25 (20)40-16-18-6-3-2-4-7-18 /h2-15H,16H2,1H3,(H,38,39 ); AVEDTSBKJVFTOY-UHFFFAOYSA-N |
Cc1ccc2n(nc(c3ccc(cc3OCc4ccccc4)C(O)=O)c 2c1)C(=O)c5c(Cl)cccc5C(F)(F)F; Cc1ccc2c( c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc( cc4OCc5ccccc5)C(=O)O |
4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-methyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16876 | A1IPX | 2 | C28 H21 Cl2 F3 N2 O5 | InChI=1S/C28H21Cl2F3N2O5/ c29-16-8-10-22-19(13-16)2 5(34-35(22)26(36)24-20(28 (31,32)33)5-3-6-21(24)30) 18-9-7-15(27(37)38)12-23( 18)40-14-17-4-1-2-11-39-1 7/h3,5-10,12-13,17H,1-2,4 ,11,14H2,(H,37,38)/t17-/m 0/s1; PAPIROLETHZWSC-KRWDZBQOSA-N |
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4cc c(cc4OC[C@@H]5CCCCO5)C(=O)O)Cl)C(F)(F)F; OC(=O)c1ccc(c(OC[CH]2CCCCO2)c1)c3nn(C(= O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; OC (=O)c1ccc(c(OC[C@@H]2CCCCO2)c1)c3nn(C(=O )c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1c c(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(c c4OCC5CCCCO5)C(=O)O)Cl)C(F)(F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[(2~{S})-oxan-2-yl]methoxy]benzoic acid |
| 16877 | A1IPY | 2 | C29 H17 Cl2 F3 N2 O4 | InChI=1S/C29H17Cl2F3N2O4/ c30-18-10-12-24-21(14-18) 26(35-36(24)27(37)25-22(2 9(32,33)34)7-4-8-23(25)31 )20-11-9-16(28(38)39)13-1 7(20)15-40-19-5-2-1-3-6-1 9/h1-14H,15H2,(H,38,39); FCSSHVZAPAYBNL-UHFFFAOYSA-N |
OC(=O)c1ccc(c(COc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1ccc( cc1)OCc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c( cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(phenoxymethyl)benzoic acid |
| 16878 | A1IPZ | 2 | C28 H21 Cl2 F3 N2 O5 | InChI=1S/C28H21Cl2F3N2O5/ c29-17-5-7-22-19(13-17)25 (34-35(22)26(36)24-20(28( 31,32)33)2-1-3-21(24)30)1 8-6-4-16(27(37)38)12-23(1 8)40-14-15-8-10-39-11-9-1 5/h1-7,12-13,15H,8-11,14H 2,(H,37,38); JIKBKCICQICNCQ-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCC2CCOCC2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1cc(c (c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4O CC5CCOCC5)C(=O)O)Cl)C(F)(F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(oxan-4-ylmethoxy)benzoic acid |
| 16879 | A1IQ0 | 1 | C16 H18 O5 | InChI=1S/C16H18O5/c1-6-7- 21-15-13(18-3)9-12(10-14( 15)19-4)8-11(2)16(17)20-5 /h1,8-10H,7H2,2-5H3/b11-8 -; BIIWHDQIRRXQOT-FLIBITNWSA-N |
CC(=Cc1cc(c(c(c1)OC)OCC#C)OC)C(=O)OC; C/ C(=C/c1cc(c(c(c1)OC)OCC#C)OC)/C(=O)OC; C OC(=O)\C(C)=C/c1cc(OC)c(OCC#C)c(OC)c1; C OC(=O)C(C)=Cc1cc(OC)c(OCC#C)c(OC)c1 |
methyl (~{Z})-3-(4-ethynoxy-3,5-dimethoxy-phenyl)-2-methyl-prop-2-enoate |
| 16880 | A1IQ1 | 1 | C13 H15 N O3 | InChI=1S/C13H15NO3/c1-9(1 3(16)17-3)8-11-4-6-12(7-5 -11)14-10(2)15/h4-8H,1-3H 3,(H,14,15)/b9-8-; UPZAERQJNSXZQO-HJWRWDBZSA-N |
COC(=O)C(C)=Cc1ccc(NC(C)=O)cc1; C/C(=C/c 1ccc(cc1)NC(=O)C)/C(=O)OC; COC(=O)C(/C)= C\c1ccc(NC(C)=O)cc1; CC(=Cc1ccc(cc1)NC(= O)C)C(=O)OC |
methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate |
| 16881 | A1IQ2 | 1 | C27 H19 Cl N2 O5 S | InChI=1S/C27H19ClN2O5S/c2 8-20-12-14-24-23(16-20)26 (29-30(24)36(33,34)21-9-5 -2-6-10-21)22-13-11-19(27 (31)32)15-25(22)35-17-18- 7-3-1-4-8-18/h1-16H,17H2, (H,31,32); XGLWTFIJYCUQPM-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(c4ccc(C l)cc34)[S](=O)(=O)c5ccccc5; c1ccc(cc1)CO c2cc(ccc2c3c4cc(ccc4n(n3)S(=O)(=O)c5cccc c5)Cl)C(=O)O |
4-[5-chloranyl-1-(phenylsulfonyl)indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16882 | A1IQ3 | 2 | C30 H19 Cl2 F3 N2 O5 | InChI=1S/C30H19Cl2F3N2O5/ c1-41-19-5-2-4-16(12-19)1 5-42-25-13-17(29(39)40)8- 10-20(25)27-21-14-18(31)9 -11-24(21)37(36-27)28(38) 26-22(30(33,34)35)6-3-7-2 3(26)32/h2-14H,15H2,1H3,( H,39,40); ABWOBBLTICEIGK-UHFFFAOYSA-N |
COc1cccc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)ccc c4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1; COc1 cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O) c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(3-methoxyphenyl)methoxy]benzoic acid |
| 16883 | A1IQ4 | 2 | C31 H21 Cl2 F3 N2 O6 | InChI=1S/C31H21Cl2F3N2O6/ c1-42-19-10-16(11-20(14-1 9)43-2)15-44-26-12-17(30( 40)41)6-8-21(26)28-22-13- 18(32)7-9-25(22)38(37-28) 29(39)27-23(31(34,35)36)4 -3-5-24(27)33/h3-14H,15H2 ,1-2H3,(H,40,41); ZUHUFQZHXZCZKV-UHFFFAOYSA-N |
COc1cc(cc(c1)OC)COc2cc(ccc2c3c4cc(ccc4n( n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; COc1cc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4 C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)cc(OC)c1 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(3,5-dimethoxyphenyl)methoxy]benzoic acid |
| 16884 | A1IQ5 | 2 | C29 H23 Cl2 F3 N2 O4 | InChI=1S/C29H23Cl2F3N2O4/ c30-18-10-12-23-20(14-18) 26(35-36(23)27(37)25-21(2 9(32,33)34)7-4-8-22(25)31 )19-11-9-17(28(38)39)13-2 4(19)40-15-16-5-2-1-3-6-1 6/h4,7-14,16H,1-3,5-6,15H 2,(H,38,39); DTQSWAPVCBUZRI-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCC2CCCCC2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1cc(c (c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4O CC5CCCCC5)C(=O)O)Cl)C(F)(F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(cyclohexylmethoxy)benzoic acid |
| 16885 | A1IQ6 | 2 | C29 H15 Cl4 F3 N2 O4 | InChI=1S/C29H15Cl4F3N2O4/ c30-16-6-9-23-18(12-16)26 (37-38(23)27(39)25-19(29( 34,35)36)2-1-3-21(25)32)1 7-7-5-15(28(40)41)11-24(1 7)42-13-14-4-8-20(31)22(3 3)10-14/h1-12H,13H2,(H,40 ,41); UAPDXFTWMZWVRB-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccc(Cl)c(Cl)c2)c1)c3nn (C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35 ; c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4 ccc(cc4OCc5ccc(c(c5)Cl)Cl)C(=O)O)Cl)C(F) (F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(3,4-dichlorophenyl)methoxy]benzoic acid |
| 16886 | A1IQ7 | 2 | C30 H19 Cl2 F3 N2 O4 | InChI=1S/C30H19Cl2F3N2O4/ c1-16(17-6-3-2-4-7-17)41- 25-14-18(29(39)40)10-12-2 0(25)27-21-15-19(31)11-13 -24(21)37(36-27)28(38)26- 22(30(33,34)35)8-5-9-23(2 6)32/h2-16H,1H3,(H,39,40) /t16-/m0/s1; MMQNBCOBPVMARV-INIZCTEOSA-N |
C[CH](Oc1cc(ccc1c2nn(C(=O)c3c(Cl)cccc3C( F)(F)F)c4ccc(Cl)cc24)C(O)=O)c5ccccc5; C[ C@@H](Oc1cc(ccc1c2nn(C(=O)c3c(Cl)cccc3C( F)(F)F)c4ccc(Cl)cc24)C(O)=O)c5ccccc5; C[ C@H](c1ccccc1)Oc2cc(ccc2c3c4cc(ccc4n(n3) C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; CC( c1ccccc1)Oc2cc(ccc2c3c4cc(ccc4n(n3)C(=O) c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(1~{R})-1-phenylethoxy]benzoic acid |
| 16887 | A1IQ8 | 2 | C29 H16 Cl3 F3 N2 O4 | InChI=1S/C29H16Cl3F3N2O4/ c30-17-7-4-15(5-8-17)14-4 1-24-12-16(28(39)40)6-10- 19(24)26-20-13-18(31)9-11 -23(20)37(36-26)27(38)25- 21(29(33,34)35)2-1-3-22(2 5)32/h1-13H,14H2,(H,39,40 ); LYZOBUJCFNGCCW-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccc(Cl)cc2)c1)c3nn(C(= O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1 cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc( cc4OCc5ccc(cc5)Cl)C(=O)O)Cl)C(F)(F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(4-chlorophenyl)methoxy]benzoic acid |
| 16888 | A1IQA | 2 | C30 H17 Cl F3 N3 O4 | InChI=1S/C30H17ClF3N3O4/c 31-23-8-4-7-22(30(32,33)3 4)26(23)28(38)37-24-12-9- 18(15-35)13-21(24)27(36-3 7)20-11-10-19(29(39)40)14 -25(20)41-16-17-5-2-1-3-6 -17/h1-14H,16H2,(H,39,40); SPDOCHVXMWIAEJ-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(cc35)C#N; c1ccc (cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c (cccc5Cl)C(F)(F)F)C#N)C(=O)O |
4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-5-cyano-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16889 | A1IQB | 2 | C29 H18 Cl F3 N2 O4 | InChI=1S/C29H18ClF3N2O4/c 30-19-11-13-24-22(15-19)2 6(34-35(24)27(36)20-8-4-5 -9-23(20)29(31,32)33)21-1 2-10-18(28(37)38)14-25(21 )39-16-17-6-2-1-3-7-17/h1 -15H,16H2,(H,37,38); GFALUKOBLBRHBN-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(= O)c5ccccc5C(F)(F)F)Cl)C(=O)O; OC(=O)c1cc c(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4C(F) (F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16890 | A1IQC | 1 | C29 H17 Cl2 F3 N2 O4 | InChI=1S/C29H17Cl2F3N2O4/ c30-20-9-4-8-19(29(32,33) 34)24(20)27(37)36-22-11-5 -10-21(31)25(22)26(35-36) 18-13-12-17(28(38)39)14-2 3(18)40-15-16-6-2-1-3-7-1 6/h1-14H,15H2,(H,38,39); PETJBLABXNEIMR-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5cccc(Cl)c35; c1ccc( cc1)COc2cc(ccc2c3c4c(cccc4Cl)n(n3)C(=O)c 5c(cccc5Cl)C(F)(F)F)C(=O)O |
4-[4-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16891 | A1IQD | 1 | C28 H18 Cl F3 N2 O5 S | InChI=1S/C28H18ClF3N2O5S/ c29-19-11-13-23-21(15-19) 26(33-34(23)40(37,38)25-9 -5-4-8-22(25)28(30,31)32) 20-12-10-18(27(35)36)14-2 4(20)39-16-17-6-2-1-3-7-1 7/h1-15H,16H2,(H,35,36); ITHDMNAVELQSKD-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)S(= O)(=O)c5ccccc5C(F)(F)F)Cl)C(=O)O; OC(=O) c1ccc(c(OCc2ccccc2)c1)c3nn(c4ccc(Cl)cc34 )[S](=O)(=O)c5ccccc5C(F)(F)F |
4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]sulfonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16892 | A1IQE | 2 | C29 H18 Cl F3 N2 O4 | InChI=1S/C29H18ClF3N2O4/c 30-22-11-6-10-21(29(31,32 )33)25(22)27(36)35-23-12- 5-4-9-19(23)26(34-35)20-1 4-13-18(28(37)38)15-24(20 )39-16-17-7-2-1-3-8-17/h1 -15H,16H2,(H,37,38); AZFHTAJIVCVEEN-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccccc35; c1ccc(cc1) COc2cc(ccc2c3c4ccccc4n(n3)C(=O)c5c(cccc5 Cl)C(F)(F)F)C(=O)O |
4-[1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonylindazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16893 | A1IQF | 2 | C30 H19 Cl2 F3 N2 O4 | InChI=1S/C30H19Cl2F3N2O4/ c31-19-10-12-24-21(16-19) 27(36-37(24)28(38)26-22(3 0(33,34)35)7-4-8-23(26)32 )20-11-9-18(29(39)40)15-2 5(20)41-14-13-17-5-2-1-3- 6-17/h1-12,15-16H,13-14H2 ,(H,39,40); KHGMDCDDFDJGPZ-UHFFFAOYSA-N |
c1ccc(cc1)CCOc2cc(ccc2c3c4cc(ccc4n(n3)C( =O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; OC(=O )c1ccc(c(OCCc2ccccc2)c1)c3nn(C(=O)c4c(Cl )cccc4C(F)(F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(2-phenylethoxy)benzoic acid |
| 16894 | A1IQG | 2 | C30 H19 Cl2 F3 N2 O4 | InChI=1S/C30H19Cl2F3N2O4/ c1-16-5-7-17(8-6-16)15-41 -25-13-18(29(39)40)9-11-2 0(25)27-21-14-19(31)10-12 -24(21)37(36-27)28(38)26- 22(30(33,34)35)3-2-4-23(2 6)32/h2-14H,15H2,1H3,(H,3 9,40); JEHXLAIYBBRRDS-UHFFFAOYSA-N |
Cc1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C( =O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; Cc1cc c(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F)( F)F)c5ccc(Cl)cc35)C(O)=O)cc1 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(4-methylphenyl)methoxy]benzoic acid |
| 16895 | A1IQH | 2 | C22 H11 Cl2 F3 N2 O3 | InChI=1S/C22H11Cl2F3N2O3/ c23-13-8-9-17-14(10-13)19 (11-4-6-12(7-5-11)21(31)3 2)28-29(17)20(30)18-15(22 (25,26)27)2-1-3-16(18)24/ h1-10H,(H,31,32); OXJOKAGFOQIGMW-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1)c2nn(C(=O)c3c(Cl)cccc3C( F)(F)F)c4ccc(Cl)cc24; c1cc(c(c(c1)Cl)C(= O)n2c3ccc(cc3c(n2)c4ccc(cc4)C(=O)O)Cl)C( F)(F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid |
| 16896 | A1IQI | 2 | C30 H19 Cl2 F3 N2 O5 | InChI=1S/C30H19Cl2F3N2O5/ c1-41-19-9-5-16(6-10-19)1 5-42-25-13-17(29(39)40)7- 11-20(25)27-21-14-18(31)8 -12-24(21)37(36-27)28(38) 26-22(30(33,34)35)3-2-4-2 3(26)32/h2-14H,15H2,1H3,( H,39,40); TYUBFLLEVHVXTC-UHFFFAOYSA-N |
COc1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C (=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; COc1 ccc(COc2cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F )(F)F)c5ccc(Cl)cc35)C(O)=O)cc1 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(4-methoxyphenyl)methoxy]benzoic acid |
| 16897 | A1IQJ | 2 | C29 H19 Cl2 F3 N2 O3 | InChI=1S/C29H19Cl2F3N2O3/ c30-19-10-12-25-21(14-19) 27(35-36(25)15-22-23(29(3 2,33)34)7-4-8-24(22)31)20 -11-9-18(28(37)38)13-26(2 0)39-16-17-5-2-1-3-6-17/h 1-14H,15-16H2,(H,37,38); ZTLYNNOYNSOQHJ-UHFFFAOYSA-N |
c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)Cc5 c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; OC(=O)c1cc c(c(OCc2ccccc2)c1)c3nn(Cc4c(Cl)cccc4C(F) (F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[[2-chloranyl-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16898 | A1IQL | 2 | C30 H23 Cl N2 O4 | InChI=1S/C30H23ClN2O4/c1- 18-7-6-8-19(2)27(18)29(34 )33-25-14-12-22(31)16-24( 25)28(32-33)23-13-11-21(3 0(35)36)15-26(23)37-17-20 -9-4-3-5-10-20/h3-16H,17H 2,1-2H3,(H,35,36); UPOUJJCANLJBJH-UHFFFAOYSA-N |
Cc1cccc(c1C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4 OCc5ccccc5)C(=O)O)Cl)C; Cc1cccc(C)c1C(=O )n2nc(c3ccc(cc3OCc4ccccc4)C(O)=O)c5cc(Cl )ccc25 |
4-[5-chloranyl-1-(2,6-dimethylphenyl)carbonyl-indazol-3-yl]-3-phenylmethoxy-benzoic acid |
| 16899 | A1IQM | 1 | C27 H46 O2 Si | InChI=1S/C27H46O2Si/c1-19 (9-8-16-30(4,5)6)24-13-14 -25-21(10-7-15-27(24,25)3 )11-12-22-17-23(28)18-26( 29)20(22)2/h11-12,19,23-2 6,28-29H,2,7-10,13-18H2,1 ,3-6H3/b21-11+,22-12-/t19 -,23-,24-,25+,26+,27-/m1/ s1; OTBSZBXRIBUUEI-AVJTYSNKSA-N |
C[CH](CCC[Si](C)(C)C)[CH]1CC[CH]2C(CCC[C ]12C)=CC=C3C[CH](O)C[CH](O)C3=C; C[C@H]( CCC[Si](C)(C)C)[C@H]1CC[C@@H]\2[C@@]1(CC C/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C; CC(CCC[Si](C)(C)C)C1CCC2C1(CCCC2=CC=C3CC (CC(C3=C)O)O)C; C[C@H](CCC[Si](C)(C)C)[C @H]1CC[C@H]2/C(CCC[C@]12C)=C/C=C3/C[C@@H ](O)C[C@H](O)C3=C |
(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpentan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 16900 | A1IQN | 1 | C27 H42 O2 Si | InChI=1S/C27H42O2Si/c1-19 (9-8-16-30(4,5)6)24-13-14 -25-21(10-7-15-27(24,25)3 )11-12-22-17-23(28)18-26( 29)20(22)2/h11-12,19,23-2 6,28-29H,2,7,9-10,13-15,1 7-18H2,1,3-6H3/b21-11+,22 -12-/t19-,23-,24-,25+,26+ ,27-/m1/s1; TXKCTYTZFLKCFP-AVJTYSNKSA-N |
C[CH](CC#C[Si](C)(C)C)[CH]1CC[CH]2C(CCC[ C]12C)=CC=C3C[CH](O)C[CH](O)C3=C; CC(CC# C[Si](C)(C)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C 3=C)O)O)C; C[C@H](CC#C[Si](C)(C)C)[C@H]1 CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C [C@@H](C3=C)O)O)C; C[C@H](CC#C[Si](C)(C) C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[ C@@H](O)C[C@H](O)C3=C |
(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpent-4-yn-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 16901 | A1IQO | 1 | C26 H36 O2 Si | InChI=1S/C26H36O2Si/c1-19 -21(17-23(27)18-25(19)28) 12-11-20-9-8-15-26(2)22(1 3-14-24(20)26)10-6-7-16-2 9(3,4)5/h11-12,22-25,27-2 8H,1,8-9,13-15,17-18H2,2- 5H3/b20-11+,21-12-/t22-,2 3+,24-,25-,26+/m0/s1; SVRDOTHFFYRNNJ-DEIDFBEBSA-N |
C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3= C)O)O)/[C@@H]1CC[C@@H]2C#CC#C[Si](C)(C)C ; C[C]12CCCC(=CC=C3C[CH](O)C[CH](O)C3=C) [CH]1CC[CH]2C#CC#C[Si](C)(C)C; CC12CCCC( =CC=C3CC(CC(C3=C)O)O)C1CCC2C#CC#C[Si](C) (C)C; C[C@]12CCCC(=C\C=C3\C[C@@H](O)C[C@ H](O)C3=C)/[C@@H]1CC[C@@H]2C#CC#C[Si](C) (C)C |
(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(4-trimethylsilylbuta-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 16902 | A1IQP | 1 | C30 H48 O2 Si | InChI=1S/C30H48O2Si/c1-21 (11-10-18-33(7,8)29(3,4)5 )26-15-16-27-23(12-9-17-3 0(26,27)6)13-14-24-19-25( 31)20-28(32)22(24)2/h13-1 4,21,25-28,31-32H,2,9,11- 12,15-17,19-20H2,1,3-8H3/ b23-13+,24-14-/t21-,25-,2 6-,27+,28+,30-/m1/s1; PXYICUQZBKYXSJ-JJADZVGUSA-N |
C[C@H](CC#C[Si](C)(C)C(C)(C)C)[C@H]1CC[C @H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@ H](O)C3=C; C[C@H](CC#C[Si](C)(C)C(C)(C)C )[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C [C@H](C[C@@H](C3=C)O)O)C; C[CH](CC#C[Si] (C)(C)C(C)(C)C)[CH]1CC[CH]2C(CCC[C]12C)= CC=C3C[CH](O)C[CH](O)C3=C; CC(CC#C[Si](C )(C)C(C)(C)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C 3=C)O)O)C |
(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-[~{tert}-butyl(dimethyl)silyl]pent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 16903 | A1IQQ | 1 | C26 H40 O2 Si | InChI=1S/C26H40O2Si/c1-18 (8-7-15-29(4)5)23-12-13-2 4-20(9-6-14-26(23,24)3)10 -11-21-16-22(27)17-25(28) 19(21)2/h10-11,18,22-25,2 7-29H,2,6,8-9,12-14,16-17 H2,1,3-5H3/b20-10+,21-11- /t18-,22-,23-,24+,25+,26- /m1/s1; JVSRRQWNCLSDIH-KPJOBTTESA-N |
CC(CC#C[SiH](C)C)C1CCC2C1(CCCC2=CC=C3CC( CC(C3=C)O)O)C; C[CH](CC#C[SiH](C)C)[CH]1 CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O )C3=C; C[C@H](CC#C[SiH](C)C)[C@H]1CC[C@H ]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H] (O)C3=C; C[C@H](CC#C[SiH](C)C)[C@H]1CC[C @@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@ H](C3=C)O)O)C |
(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-dimethylsilylpent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 16904 | A1IQR CHEMBL7891 |
2 | C9 H10 N2 | InChI=1S/C9H10N2/c10-9-8- 4-2-1-3-7(8)5-6-11-9/h1-4 H,5-6H2,(H2,10,11); KFCJKQZKHMRYQF-UHFFFAOYSA-N |
NC1=NCCc2ccccc12; c1ccc2c(c1)CCN=C2N | 3,4-dihydroisoquinolin-1-amine |
| 16905 | A1IQS | 1 | C25 H31 N7 O5 | InChI=1S/C25H31N7O5/c1-25 (37)9-15(33)11-31(22(34)1 7(26)8-14-10-27-18-7-5-4- 6-16(14)18)12-19(25)32-13 -28-21-20(32)23(35)30(3)2 4(36)29(21)2/h4-7,10,13,1 5,17,19,27,33,37H,8-9,11- 12,26H2,1-3H3/t15?,17?,19 ?,25-/m0/s1; DDNGVXBWJTUXAH-YNQYGCNBSA-N |
CN1C(=O)N(C)c2ncn([C@H]3CN(C[C@H](O)C[C@ ]3(C)O)C(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c 2C1=O; C[C@@]1(C[C@H](CN(C[C@@H]1n2cnc3c 2C(=O)N(C(=O)N3C)C)C(=O)[C@H](Cc4c[nH]c5 c4cccc5)N)O)O; CC1(CC(CN(CC1n2cnc3c2C(=O )N(C(=O)N3C)C)C(=O)C(Cc4c[nH]c5c4cccc5)N )O)O; CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O) C[C]3(C)O)C(=O)[CH](N)Cc4c[nH]c5ccccc45) c2C1=O |
7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione |
| 16906 | A1IQT | 6 | C33 H40 N8 O6 S | InChI=1S/C33H40N8O6S/c42- 29-18-33(32(45)37-29)11-1 5-41(21-33)48(46,47)38-26 -9-13-39(14-10-26)16-12-3 4-30(43)23-4-1-3-22(17-23 )27-20-40-19-24(7-8-28(40 )36-27)31(44)35-25-5-2-6- 25/h1,3-4,7-8,17,19-20,25 -26,38H,2,5-6,9-16,18,21H 2,(H,34,43)(H,35,44)(H,37 ,42,45)/t33-/m0/s1; OCUSWIZQDIUKKB-XIFFEERXSA-N |
c1cc(cc(c1)C(=O)NCCN2CCC(CC2)NS(=O)(=O)N 3CC[C@@]4(C3)CC(=O)NC4=O)c5cn6cc(ccc6n5) C(=O)NC7CCC7; O=C1C[C@]2(CCN(C2)[S](=O)( =O)NC3CCN(CCNC(=O)c4cccc(c4)c5cn6cc(ccc6 n5)C(=O)NC7CCC7)CC3)C(=O)N1; O=C1C[C]2(C CN(C2)[S](=O)(=O)NC3CCN(CCNC(=O)c4cccc(c 4)c5cn6cc(ccc6n5)C(=O)NC7CCC7)CC3)C(=O)N 1; c1cc(cc(c1)C(=O)NCCN2CCC(CC2)NS(=O)(= O)N3CCC4(C3)CC(=O)NC4=O)c5cn6cc(ccc6n5)C (=O)NC7CCC7 |
2-[3-[2-[4-[[(5~{S})-1,3-bis(oxidanylidene)-2,7-diazaspiro[4.4]nonan-7-yl]sulfonylamino]piperidin-1-yl]ethylcarbamoyl]phenyl]-~{N}-cyclobutyl-imidazo[1,2-a]pyridine-6-carboxamide |
| 16907 | A1IQU | 1 | C18 H14 N3 O2 | InChI=1S/C18H13N3O2/c22-1 8(20-23)13-9-7-12(8-10-13 )17-16-6-3-11-21(16)15-5- 2-1-4-14(15)19-17/h1-11H, (H2,19,20,22,23)/p+1; UIYKYEMVZGDMRC-UHFFFAOYSA-O |
c1ccc2c(c1)[nH]c(c-3ccc[n+]23)c4ccc(cc4) C(=O)NO; ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3 [n+]4cccc24 |
~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)benzamide |
| 16908 | A1IQV | 1 | C20 H14 N2 O2 | InChI=1S/C20H14N2O2/c23-2 0(22-24)14-11-9-13(10-12- 14)19-17-7-2-1-5-15(17)16 -6-3-4-8-18(16)21-19/h1-1 2,24H,(H,22,23); SKTQGZRQWBQSQM-UHFFFAOYSA-N |
ONC(=O)c1ccc(cc1)c2nc3ccccc3c4ccccc24; c 1ccc2c(c1)c3ccccc3nc2c4ccc(cc4)C(=O)NO |
~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide |
| 16909 | A1IQW | 4 | C18 H15 F2 N2 O7 Ru2 | InChI=1S/C13H9F2N2.2C2H4O 2.CH2O3.2Ru/c14-10-1-5-12 (6-2-10)16-9-17-13-7-3-11 (15)4-8-13;2*1-2(3)4;2-1( 3)4;;/h1-9H;2*1H3,(H,3,4) ;(H2,2,3,4);;/q-1;;;;+1;+ 4/p-4; SGNOFJFBIMDYBK-UHFFFAOYSA-J |
CC(=O)[O-].CC(=O)[O-].[O-]C(=O)O[Ru++]N( C=[N-]([Ru++])c1ccc(F)cc1)c2ccc(F)cc2; C C1=O[Ru+2]234N(C=[N-]([Ru+2]2([O-]1)([O- ]C(=O3)C)[O-]C(=O)O4)c5ccc(cc5)F)c6ccc(c c6)F |
[Ru2-N,N'-diphenylformamidinate(O2CCH3)2(O2CO)] complex; Diruthenium complex |
| 16910 | A1IQX | 0 | C8 H12 N4 O3 | InChI=1S/C8H12N4O3/c9-6(8 (14)15)1-5-2-12(4-11-5)3- 7(10)13/h2,4,6H,1,3,9H2,( H2,10,13)(H,14,15)/t6-/m0 /s1; YMBDHBKBPWARBP-LURJTMIESA-N |
N[CH](Cc1cn(CC(N)=O)cn1)C(O)=O; N[C@@H]( Cc1cn(CC(N)=O)cn1)C(O)=O; c1c(ncn1CC(=O) N)CC(C(=O)O)N; c1c(ncn1CC(=O)N)C[C@@H](C (=O)O)N |
NE2-acetamide-histidine; (2~{S})-2-azanyl-3-[1-(2-azanyl-2-oxidanylidene-ethyl)imidazol-4-yl]propanoic acid; NE2-ethanamide-histidine |
| 16911 | A1IQY | 1 | C11 H11 N O4 | InChI=1S/C11H11NO4/c1-8(1 1(13)16-2)7-9-3-5-10(6-4- 9)12(14)15/h3-7H,1-2H3/b8 -7-; PSKQMOVEPBBTCO-FPLPWBNLSA-N |
CC(=Cc1ccc(cc1)[N+](=O)[O-])C(=O)OC; C/C (=C/c1ccc(cc1)[N+](=O)[O-])/C(=O)OC; COC (=O)\C(C)=C/c1ccc(cc1)[N+]([O-])=O; COC( =O)C(C)=Cc1ccc(cc1)[N+]([O-])=O |
methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate |
| 16912 | A1IQZ | 1 | C13 H12 O2 | InChI=1S/C13H12O2/c1-4-11 -5-7-12(8-6-11)9-10(2)13( 14)15-3/h1,5-9H,2-3H3/b10 -9-; QXZSLVGPGBSCGY-KTKRTIGZSA-N |
COC(=O)C(C)=Cc1ccc(cc1)C#C; CC(=Cc1ccc(c c1)C#C)C(=O)OC; C/C(=C/c1ccc(cc1)C#C)/C( =O)OC; COC(=O)\C(C)=C/c1ccc(cc1)C#C |
methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate |
| 16913 | A1IR0 | 1 | C15 H11 N5 O | InChI=1S/C15H11N5O/c16-13 -11-5-8-20(10-3-6-17-7-4- 10)15(11)19-14(18-13)12-2 -1-9-21-12/h1-9H,(H2,16,1 8,19); WXVIBIODIRHTBI-UHFFFAOYSA-N |
c1cc(oc1)c2nc(c3ccn(c3n2)c4ccncc4)N; Nc1 nc(nc2n(ccc12)c3ccncc3)c4occc4 |
2-(furan-2-yl)-7-pyridin-4-yl-pyrrolo[2,3-d]pyrimidin-4-amine |
| 16914 | A1IR1 | 1 | C15 H11 N7 O | InChI=1S/C15H11N7O/c16-15 -20-13(19-14(21-15)11-4-2 -8-23-11)10-3-1-5-12(18-1 0)22-7-6-17-9-22/h1-9H,(H 2,16,19,20,21); PZPYYFUYDDSXJF-UHFFFAOYSA-N |
Nc1nc(nc(n1)c2cccc(n2)n3ccnc3)c4occc4; c 1cc(nc(c1)n2ccnc2)c3nc(nc(n3)N)c4ccco4 |
4-(furan-2-yl)-6-(6-imidazol-1-ylpyridin-2-yl)-1,3,5-triazin-2-amine |
| 16915 | A1IR3 | 2 | C13 H12 N2 O2 | InChI=1S/C13H12N2O2/c16-1 2-8-11(9-6-7-9)14-13(17)1 5(12)10-4-2-1-3-5-10/h1-5 ,8-9H,6-7H2,(H,14,17); YSTWXKANMCMRMR-UHFFFAOYSA-N |
c1ccc(cc1)N2C(=O)C=C(NC2=O)C3CC3; O=C1NC (=CC(=O)N1c2ccccc2)C3CC3 |
6-cyclopropyl-3-phenyl-1~{H}-pyrimidine-2,4-dione |
| 16916 | A1IR4 | 5 | C3 H3 N3 O S | InChI=1S/C3H3N3OS/c7-2-1- 4-6-3(8)5-2/h1H,(H2,5,6,7 ,8); HZPZCLDCTLLJTF-UHFFFAOYSA-N |
c1c(nc(nn1)S)O; Oc1cnnc(S)n1 | 3-sulfanyl-1,2,4-triazin-5-ol |
| 16917 | A1IR5 CHEMBL1462635 |
2 | C6 H4 N2 O S2 | InChI=1S/C6H4N2OS2/c9-4-3 -1-2-11-5(3)8-6(10)7-4/h1 -2H,(H2,7,8,9,10); SJFBCDCLMGDIRN-UHFFFAOYSA-N |
SC1=Nc2sccc2C(=O)N1; c1csc2c1C(=O)NC(=N2 )S |
2-sulfanyl-3~{H}-thieno[2,3-d]pyrimidin-4-one |
| 16918 | A1IR6 | 8 | C26 H59 N O29 P4 | InChI=1S/C26H59NO29P4/c27 -5-3-1-2-4-6-49-57(41,42) 50-9-17(31)24(38)18(32)10 -53-59(45,46)54-13-21(35) 26(40)22(36)14-56-60(47,4 8)55-12-20(34)25(39)19(33 )11-52-58(43,44)51-8-16(3 0)23(37)15(29)7-28/h15-26 ,28-40H,1-14,27H2,(H,41,4 2)(H,43,44)(H,45,46)(H,47 ,48)/t15-,16+,17+,18-,19- ,20+,21+,22-,23-,24+,25-, 26+/m0/s1; RCKXLZVGBDVNAH-XRRZROOQSA-N |
NCCCCCCO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C @@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[ C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O) [C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O )[C@@H](O)CO; C(CCCOP(=O)(O)OC[C@H]([C@H ]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](CO P(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC [C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)O )O)O)CCN; C(CCCOP(=O)(O)OCC(C(C(COP(=O)( O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OC C(C(C(CO)O)O)O)O)O)O)O)O)O)O)O)O)CCN; NC CCCCCO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)C O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P]( O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O )OC[CH](O)[CH](O)[CH](O)CO |
(Ribitol-phosphate)4-(CH2)6-NH2; [(2S,3S,4R)-5-[[(2S,3R,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
| 16919 | A1IR7 | 1 | C33 H41 Cl2 N4 O3 Ru S | InChI=1S/C23H31N4O2S.C10H 12O.2ClH.Ru/c1-14-7-16(3) 22(17(4)8-14)26-13-27(23- 18(5)9-15(2)10-19(23)6)21 -12-25-30(28,29)24-11-20( 21)26;1-8(2)11-10-7-5-4-6 -9(10)3;;;/h7-10,13,20-21 ,24-25H,11-12H2,1-6H3;3-8 H,1-2H3;2*1H;/q;;;;+4/p-2 /t20-,21-;;;;/m1..../s1; IQBORUPCKIOGRA-ZPVXIRCVSA-L |
Cc1ccccc1OC(C)C.Cc2cc(C)c(N3CN([C@@H]4CN [S](=O)(=O)NC[C@@H]34)c5c(C)cc(C)cc5C)c( C)c2.Cl[Ru++]Cl; Cc1ccccc1OC(C)C.Cc2cc(C )c(N3CN([CH]4CN[S](=O)(=O)NC[CH]34)c5c(C )cc(C)cc5C)c(C)c2.Cl[Ru++]Cl; Cc1cc(c(c( c1)C)N2[C@@H]3CNS(=O)(=O)NC[C@H]3N([C]2[ Ru+2]4(=[C]c5ccccc5O4C(C)C)(Cl)Cl)c6c(cc (cc6C)C)C)C; Cc1cc(c(c(c1)C)N2C3CNS(=O)( =O)NCC3N([C]2[Ru+2]4(=[C]c5ccccc5O4C(C)C )(Cl)Cl)c6c(cc(cc6C)C)C)C |
(3aR,8aR)-2-[8,8-bis(chloranyl)-7-propan-2-yl-7$l^{3}-oxa-8$l^{5}-ruthenabicyclo[4.3.0]nona-1(6),2,4-trien-8-yl]-1,3-bis(2,4,6-trimethylphenyl)-3a,4,5,7,8,8a-hexahydroimidazo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide |
| 16920 | A1IR8 | 1 | C26 H30 N6 O | InChI=1S/C26H30N6O/c1-5-1 9-17-24(33)32(22-9-7-6-8- 10-22)25-23(19)18-27-26(2 9-25)28-20-11-13-21(14-12 -20)31(4)16-15-30(2)3/h6- 14,17-18H,5,15-16H2,1-4H3 ,(H,27,28,29); HEAICLUQPDPZTR-UHFFFAOYSA-N |
CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3)N(C)C CN(C)C)c4ccccc4; CCC1=CC(=O)N(c2ccccc2)c 3nc(Nc4ccc(cc4)N(C)CCN(C)C)ncc13 |
2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-5-ethyl-8-phenyl-pyrido[2,3-d]pyrimidin-7-one |
| 16921 | A1IR9 | 1 | C24 H26 N6 O | InChI=1S/C24H26N6O/c1-28( 2)15-16-29(3)20-12-10-19( 11-13-20)26-24-25-17-18-9 -14-22(31)30(23(18)27-24) 21-7-5-4-6-8-21/h4-14,17H ,15-16H2,1-3H3,(H,25,26,2 7); VJLAERWTEIKYGL-UHFFFAOYSA-N |
CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O) C=C3)c4ccccc4; CN(C)CCN(C)c1ccc(Nc2ncc3C =CC(=O)N(c4ccccc4)c3n2)cc1 |
2-[[4-[2-(dimethylamino)ethyl-methyl-amino]phenyl]amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one |
| 16922 | A1IRA | 2 | C30 H19 Cl2 F3 N2 O6 S | InChI=1S/C30H19Cl2F3N2O6S /c1-44(41,42)19-9-5-16(6- 10-19)15-43-25-13-17(29(3 9)40)7-11-20(25)27-21-14- 18(31)8-12-24(21)37(36-27 )28(38)26-22(30(33,34)35) 3-2-4-23(26)32/h2-14H,15H 2,1H3,(H,39,40); XFMUGFWLWHPCIK-UHFFFAOYSA-N |
CS(=O)(=O)c1ccc(cc1)COc2cc(ccc2c3c4cc(cc c4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O )O; C[S](=O)(=O)c1ccc(COc2cc(ccc2c3nn(C( =O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C( O)=O)cc1 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(4-methylsulfonylphenyl)methoxy]benzoic acid |
| 16923 | A1IRB | 1 | C12 H22 O2 | InChI=1S/C12H22O2/c1-2-3- 4-5-6-7-8-9-10-11-12(13)1 4/h7-8H,2-6,9-11H2,1H3,(H ,13,14)/b8-7+; IJBFSOLHRKELLR-BQYQJAHWSA-N |
CCCCCC/C=C/CCCC(=O)O; CCCCCCC=CCCCC(=O)O ; CCCCCCC=CCCCC(O)=O; CCCCCC\C=C\CCCC(O) =O |
cis-5-dodecenoic acid; (~{E})-dodec-5-enoic acid |
| 16924 | A1IRC | 1 | C26 H20 F3 N5 O2 | InChI=1S/C26H20F3N5O2/c1- 3-24(35)33-22-11-9-19(14- 21(22)26(27,28)29)32-25(3 6)18-7-6-16(2)17(13-18)8- 10-20-15-30-23-5-4-12-31- 34(20)23/h4-7,9,11-15H,3H 2,1-2H3,(H,32,36)(H,33,35 ); FTNOFDRVSQZWOA-UHFFFAOYSA-N |
CCC(=O)Nc1ccc(cc1C(F)(F)F)NC(=O)c2ccc(c( c2)C#Cc3cnc4n3nccc4)C; CCC(=O)Nc1ccc(NC( =O)c2ccc(C)c(c2)C#Cc3cnc4cccnn34)cc1C(F) (F)F |
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-~{N}-[4-(propanoylamino)-3-(trifluoromethyl)phenyl]benzamide |
| 16925 | A1IRD | 2 | C27 H15 Cl2 F3 N4 O4 | InChI=1S/C27H15Cl2F3N4O4/ c28-15-6-8-20-17(12-15)24 (35-36(20)25(37)23-18(27( 30,31)32)3-1-4-19(23)29)1 6-7-5-14(26(38)39)11-21(1 6)40-13-22-33-9-2-10-34-2 2/h1-12H,13H2,(H,38,39); RDQDRNZBJPMAKJ-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ncccn2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1cc(c (c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4O Cc5ncccn5)C(=O)O)Cl)C(F)(F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(pyrimidin-2-ylmethoxy)benzoic acid |
| 16926 | A1IRE | 2 | C24 H24 Cl F3 N4 O3 S | InChI=1S/C24H24ClF3N4O3S/ c1-2-19-21(32-12-18(25)7- 8-20(32)30-19)22(33)29-11 -15-3-5-16(6-4-15)17-9-23 (10-17)13-31(14-23)36(34, 35)24(26,27)28/h3-8,12,17 H,2,9-11,13-14H2,1H3,(H,2 9,33); GIXVZWVAKMICTO-UHFFFAOYSA-N |
CCc1c(n2cc(ccc2n1)Cl)C(=O)NCc3ccc(cc3)C4 CC5(C4)CN(C5)S(=O)(=O)C(F)(F)F; CCc1nc2c cc(Cl)cn2c1C(=O)NCc3ccc(cc3)C4CC5(C4)CN( C5)[S](=O)(=O)C(F)(F)F |
6-chloranyl-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide |
| 16927 | A1IRF | 4 | C23 H24 N6 O | InChI=1S/C23H24N6O/c1-28- 12-10-17(11-13-28)29-23-2 0(22(24)25-15-26-23)21(27 -29)16-6-5-9-19(14-16)30- 18-7-3-2-4-8-18/h2-9,14-1 5,17H,10-13H2,1H3,(H2,24, 25,26); JWZBPGIFSZRCBO-UHFFFAOYSA-N |
CN1CCC(CC1)n2c3c(c(n2)c4cccc(c4)Oc5ccccc 5)c(ncn3)N; CN1CCC(CC1)n2nc(c3cccc(Oc4cc ccc4)c3)c5c(N)ncnc25 |
1-(1-methylpiperidin-4-yl)-3-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
| 16928 | A1IRG | 2 | C30 H17 Cl2 F3 N2 O6 | InChI=1S/C30H17Cl2F3N2O6/ c31-17-8-10-22-19(12-17)2 6(36-37(22)28(38)25-20(30 (33,34)35)4-2-5-21(25)32) 18-9-7-15(29(39)40)11-24( 18)41-13-16-3-1-6-23-27(1 6)43-14-42-23/h1-12H,13-1 4H2,(H,39,40); TYVMOSTVNXQUSK-UHFFFAOYSA-N |
c1cc(c2c(c1)OCO2)COc3cc(ccc3c4c5cc(ccc5n (n4)C(=O)c6c(cccc6Cl)C(F)(F)F)Cl)C(=O)O; OC(=O)c1ccc(c(OCc2cccc3OCOc23)c1)c4nn(C (=O)c5c(Cl)cccc5C(F)(F)F)c6ccc(Cl)cc46 |
3-(1,3-benzodioxol-4-ylmethoxy)-4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]benzoic acid |
| 16929 | A1IRH | 4 | C9 H12 O3 S | InChI=1S/C9H12O3S/c1-6-4- 7(2)9(8(3)5-6)13(10,11)12 /h4-5H,1-3H3,(H,10,11,12); LXFQSRIDYRFTJW-UHFFFAOYSA-N |
Cc1cc(C)c(c(C)c1)[S](O)(=O)=O; Cc1cc(c(c (c1)C)S(=O)(=O)O)C |
2,4,6-trimethylbenzenesulfonic acid; 2,4,6-trimethylbenzenesulfonate |
| 16930 | A1IRI CHEMBL5173264 |
1 | C19 H26 N6 O2 S | InChI=1S/C19H26N6O2S/c1-1 2(2)14-5-4-13(16(22-14)27 -3)15-10-21-17-25(15)23-1 8(28-17)24-8-6-19(26,11-2 0)7-9-24/h4-5,10,12,26H,6 -9,11,20H2,1-3H3; JYHSRMKXBAPFST-UHFFFAOYSA-N |
COc1nc(ccc1c2cnc3sc(nn23)N4CCC(O)(CN)CC4 )C(C)C; CC(C)c1ccc(c(n1)OC)c2cnc3n2nc(s3 )N4CCC(CC4)(CN)O |
4-(aminomethyl)-1-[5-(2-methoxy-6-propan-2-yl-pyridin-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-ol |
| 16931 | A1IRJ | 1 | C23 H27 N O3 | InChI=1S/C23H27NO3/c1-2-1 8-19(16-6-7-16)12-15(13-2 0(18)17-8-9-17)14-21(25)2 4-23(22(26)27)10-4-3-5-11 -23/h1,12-13,16-17H,3-11, 14H2,(H,24,25)(H,26,27); POVIYJQHSAWKPJ-UHFFFAOYSA-N |
C#Cc1c(cc(cc1C2CC2)CC(=O)NC3(CCCCC3)C(=O )O)C4CC4; OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3 CC3)c(C#C)c(c2)C4CC4 |
1-[2-(3,5-dicyclopropyl-4-ethynyl-phenyl)ethanoylamino]cyclohexane-1-carboxylic acid |
| 16932 | A1IRK | 1 | C21 H32 N6 O5 S | InChI=1S/C21H32N6O5S/c1-1 4(2)9-19(21(29)25-30)20(2 8)23-17-7-5-16(6-8-17)11- 27-12-18(24-26-27)10-22-3 3(31,32)13-15(3)4/h5-8,12 ,14-15,19,22,30H,9-11,13H 2,1-4H3,(H,23,28)(H,25,29 )/t19-/m1/s1; NTQUMUSAQQXISN-LJQANCHMSA-N |
CC(C)C[C@@H](C(=O)NO)C(=O)Nc1ccc(Cn2cc(C N[S](=O)(=O)CC(C)C)nn2)cc1; CC(C)CC(C(=O )Nc1ccc(cc1)Cn2cc(nn2)CNS(=O)(=O)CC(C)C) C(=O)NO; CC(C)C[C@H](C(=O)Nc1ccc(cc1)Cn2 cc(nn2)CNS(=O)(=O)CC(C)C)C(=O)NO; CC(C)C [CH](C(=O)NO)C(=O)Nc1ccc(Cn2cc(CN[S](=O) (=O)CC(C)C)nn2)cc1 |
(2~{R})-2-(2-methylpropyl)-~{N}-[4-[[4-[(2-methylpropylsulfonylamino)methyl]-1,2,3-triazol-1-yl]methyl]phenyl]-~{N}'-oxidanyl-propanediamide |
| 16933 | A1IRL | 1 | C17 H25 Cl2 N2 O5 P | InChI=1S/C17H25Cl2N2O5P/c 1-9(2)7-14(27(24,25)26)16 (22)21-15(10(3)4)17(23)20 -11-5-6-12(18)13(19)8-11/ h5-6,8-10,14-15H,7H2,1-4H 3,(H,20,23)(H,21,22)(H2,2 4,25,26)/t14-,15-/m1/s1; MGOFXJKMSWJECR-HUUCEWRRSA-N |
CC(C)CC(C(=O)NC(C(C)C)C(=O)Nc1ccc(c(c1)C l)Cl)P(=O)(O)O; CC(C)C[C@H](C(=O)N[C@H]( C(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)[P](O)(O)=O ; CC(C)C[C@H](C(=O)N[C@H](C(C)C)C(=O)Nc1 ccc(c(c1)Cl)Cl)P(=O)(O)O; CC(C)C[CH](C(= O)N[CH](C(C)C)C(=O)Nc1ccc(Cl)c(Cl)c1)[P] (O)(O)=O |
[(2~{R})-1-[[(2~{R})-1-[(3,4-dichlorophenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
| 16934 | A1IRN | 2 | C18 H18 N2 O2 S | InChI=1S/C18H18N2O2S/c1-1 3-2-8-17(9-3-13)23(21,22) 20-12-14-4-5-16(11-19)18( 10-14)15-6-7-15/h2-5,8-10 ,15,20H,6-7,12H2,1H3; VUDOMXANWQBNKR-UHFFFAOYSA-N |
Cc1ccc(cc1)S(=O)(=O)NCc2ccc(c(c2)C3CC3)C #N; Cc1ccc(cc1)[S](=O)(=O)NCc2ccc(C#N)c( c2)C3CC3 |
~{N}-[(4-cyano-3-cyclopropyl-phenyl)methyl]-4-methyl-benzenesulfonamide |
| 16935 | A1IRQ CHEMBL329823 |
3 | C22 H24 N2 O6 S | InChI=1S/C22H24N2O6S/c25- 15-6-4-13(5-7-15)10-19(31 )21(28)23-12-20(27)24-17( 8-9-18(24)22(29)30)14-2-1 -3-16(26)11-14/h1-7,11,17 -19,25-26,31H,8-10,12H2,( H,23,28)(H,29,30)/t17-,18 +,19+/m1/s1; YPWYWKIJWOXKKV-QYZOEREBSA-N |
c1cc(cc(c1)O)[C@H]2CC[C@H](N2C(=O)CNC(=O )[C@H](Cc3ccc(cc3)O)S)C(=O)O; OC(=O)[C@@ H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc2cc c(O)cc2)c3cccc(O)c3; c1cc(cc(c1)O)C2CCC( N2C(=O)CNC(=O)C(Cc3ccc(cc3)O)S)C(=O)O; O C(=O)[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc 2ccc(O)cc2)c3cccc(O)c3 |
(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid |
| 16936 | A1IRR CHEMBL315037 |
3 | C23 H26 N2 O4 S | InChI=1S/C23H26N2O4S/c1-1 5-7-9-17(10-8-15)18-11-12 -19(23(28)29)25(18)21(26) 14-24-22(27)20(30)13-16-5 -3-2-4-6-16/h2-10,18-20,3 0H,11-14H2,1H3,(H,24,27)( H,28,29)/t18-,19+,20+/m1/ s1; LQAZEFOQORVDKT-AABGKKOBSA-N |
Cc1ccc(cc1)[CH]2CC[CH](N2C(=O)CNC(=O)[CH ](S)Cc3ccccc3)C(O)=O; Cc1ccc(cc1)[C@H]2C C[C@H](N2C(=O)CNC(=O)[C@@H](S)Cc3ccccc3) C(O)=O; Cc1ccc(cc1)C2CCC(N2C(=O)CNC(=O)C (Cc3ccccc3)S)C(=O)O; Cc1ccc(cc1)[C@H]2CC [C@H](N2C(=O)CNC(=O)[C@H](Cc3ccccc3)S)C( =O)O |
(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid |
| 16937 | A1IRS | 1 | C26 H32 N4 O4 S | InChI=1S/C26H32N4O4S/c27- 13-7-6-12-21(29-25(32)23( 35)14-17-8-2-1-3-9-17)24( 31)30-22(26(33)34)15-18-1 6-28-20-11-5-4-10-19(18)2 0/h1-5,8-11,16,21-23,28,3 5H,6-7,12-15,27H2,(H,29,3 2)(H,30,31)(H,33,34)/t21- ,22-,23-/m0/s1; HDYXNOIOUJSIFC-VABKMULXSA-N |
c1ccc(cc1)CC(C(=O)NC(CCCCN)C(=O)NC(Cc2c[ nH]c3c2cccc3)C(=O)O)S; NCCCC[CH](NC(=O)[ CH](S)Cc1ccccc1)C(=O)N[CH](Cc2c[nH]c3ccc cc23)C(O)=O; c1ccc(cc1)C[C@@H](C(=O)N[C@ @H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3 )C(=O)O)S; NCCCC[C@H](NC(=O)[C@@H](S)Cc1 ccccc1)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C( O)=O |
(2~{S})-2-[[(2~{S})-6-azanyl-2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]hexanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid |
| 16938 | A1IRU CHEMBL48310 |
1 | C10 H12 O2 | InChI=1S/C10H12O2/c1-7(2) 8-4-3-5-9(11)10(12)6-8/h3 -7H,1-2H3,(H,11,12); FUWUEFKEXZQKKA-UHFFFAOYSA-N |
CC(C)C1=CC=CC(=O)C(=C1)O | 2-oxidanyl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one; 2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one; B-Thujaplicin |
| 16939 | A1IRV CHEMBL4116897 |
2 | C10 H16 N6 O2 S | InChI=1S/C10H16N6O2S/c11- 9(12)16-10(13)15-6-5-7-1- 3-8(4-2-7)19(14,17)18/h1- 4H,5-6H2,(H2,14,17,18)(H6 ,11,12,13,15,16); QRPJLVINULAAJE-UHFFFAOYSA-N |
NC(=N)NC(=N)NCCc1ccc(cc1)[S](N)(=O)=O; c 1cc(ccc1CCNC(=N)NC(=N)N)S(=O)(=O)N; [H]/ N=C(/N)\N/C(=N\[H])/NCCc1ccc(cc1)S(=O)(= O)N |
1-carbamimidoyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine; 1-carbamimidamido-N-[2-(4-sulfamoylphenyl)ethyl]methanimidamide |
| 16940 | A1IRW | 2 | C21 H35 N5 O5 Si | InChI=1S/C21H35N5O5Si/c1- 21(2,3)16(25-20(30)31-4)1 9(29)26-12-32(5,6)11-15(2 6)18(28)24-14(10-22)9-13- 7-8-23-17(13)27/h13-16H,7 -9,11-12H2,1-6H3,(H,23,27 )(H,24,28)(H,25,30)/t13-, 14-,15-,16+/m0/s1; VCDXKKVSQDWFRZ-YHUYYLMFSA-N |
COC(=O)N[CH](C(=O)N1C[Si](C)(C)C[CH]1C(= O)N[CH](C[CH]2CCNC2=O)C#N)C(C)(C)C; COC( =O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1C(=O) N[C@@H](C[C@@H]2CCNC2=O)C#N)C(C)(C)C; CC (C)(C)C(C(=O)N1C[Si](CC1C(=O)NC(CC2CCNC2 =O)C#N)(C)C)NC(=O)OC; CC(C)(C)[C@@H](C(= O)N1C[Si](C[C@H]1C(=O)N[C@@H](C[C@@H]2CC NC2=O)C#N)(C)C)NC(=O)OC |
methyl-N-[(2S)-1-[(5R)-5-[[(2S)-1-azanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate |
| 16941 | A1IRY | 1 | C46 H70 Fe N5 O10 | InChI=1S/C46H71N5O10.Fe/c 1-3-4-5-6-7-8-9-10-11-12- 13-14-15-16-17-18-19-30-4 2(54)50(58)31-24-23-28-38 (48-43(55)39-34-60-44(49- 39)36-26-20-21-29-40(36)5 2)46(57)61-35(2)33-41(53) 47-37-27-22-25-32-51(59)4 5(37)56;/h19-21,26,29-30, 35,37-39,52H,3-18,22-25,2 7-28,31-34H2,1-2H3,(H,47, 53)(H,48,55);/q-2;+6/p-1/ b30-19+;/t35-,37+,38+,39- ;/m1./s1; WIDLAQIWGHKGKG-VVKRVUJQSA-M |
CCCCCCCCCCCCCCCCC/C=C/C(=O)[N@]1CCCC[C@@ H]2NC(=O)[C@H]3COC(=N3)c4ccccc4O[Fe+3](O 1)O[N@]5CCCC[C@H](NC(=O)C[C@@H](C)OC2=O) C5=O; CCCCCCCCCCCCCCCCC/C=C/C1=O[Fe+3]23 45[N]6=C(c7ccccc7O2)OC[C@@H]6C(=O)N[C@@H ](CCCCN1O3)C(=O)O[C@@H](CC(=O)N[C@H]8CCC CN(C8=O4)O5)C; CCCCCCCCCCCCCCCCCC=CC(=O) [N]1CCCC[CH]2NC(=O)[CH]3COC(=N3)c4ccccc4 O[Fe+3](O1)O[N]5CCCC[CH](NC(=O)C[CH](C)O C2=O)C5=O; CCCCCCCCCCCCCCCCCC=CC1=O[Fe+3 ]2345[N]6=C(c7ccccc7O2)OCC6C(=O)NC(CCCCN 1O3)C(=O)OC(CC(=O)NC8CCCCN(C8=O4)O5)C |
Mycobactin S; [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate |
| 16942 | A1IRZ | 3 | C21 H48 N O22 P3 | InChI=1S/C21H48NO22P3/c22 -5-3-1-2-4-6-39-45(33,34) 40-9-15(26)20(31)16(27)10 -43-47(37,38)44-12-18(29) 21(32)17(28)11-42-46(35,3 6)41-8-14(25)19(30)13(24) 7-23/h13-21,23-32H,1-12,2 2H2,(H,33,34)(H,35,36)(H, 37,38)/t13-,14+,15+,16-,1 7-,18+,19-,20+,21-/m0/s1; POHGLNKPGYJWGF-HENMOWIDSA-N |
C(CCCOP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O )(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H ]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)CCN; C(CCCOP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C( COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)C CN; NCCCCCCO[P](O)(=O)OC[CH](O)[CH](O)[C H](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O) CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO; N CCCCCCO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@ @H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C @@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[ C@@H](O)CO |
(Ribitol-phosphate)3-(CH2)6-NH2; [(2S,3S,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate |
| 16943 | A1IS0 CHEMBL428968 |
2 | C12 H10 N4 | InChI=1S/C12H10N4/c13-11- 10-9(8-4-2-1-3-5-8)6-7-14 -12(10)16-15-11/h1-7H,(H3 ,13,14,15,16); GFHKPJCWBZMRSN-UHFFFAOYSA-N |
c1ccc(cc1)c2ccnc3c2c([nH]n3)N; Nc1[nH]nc 2nccc(c3ccccc3)c12 |
4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine |
| 16944 | A1IS2 | 2 | C14 H13 N3 | InChI=1S/C14H13N3/c1-9-13 (10(2)17-16-9)12-7-3-5-11 -6-4-8-15-14(11)12/h3-8H, 1-2H3,(H,16,17); GYFCQCULMGSZEK-UHFFFAOYSA-N |
Cc1[nH]nc(C)c1c2cccc3cccnc23; Cc1c(c(n[n H]1)C)c2cccc3c2nccc3 |
8-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline |
| 16945 | A1IS4 | 2 | C23 H20 Cl N O3 | InChI=1S/C23H20ClNO3/c24- 18-5-4-6-19(15-18)25-20-1 3-16(7-8-17(20)14-21(25)2 2(26)27)9-12-23(28)10-2-1 -3-11-23/h4-8,13-15,28H,1 -3,10-11H2,(H,26,27); NVFRYIOYRKGWKQ-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)n2c3cc(ccc3cc2C(=O)O)C#CC4 (CCCCC4)O; OC(=O)c1cc2ccc(cc2n1c3cccc(Cl )c3)C#CC4(O)CCCCC4 |
1-(3-chlorophenyl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-2-carboxylic acid |
| 16946 | A1IS5 | 2 | C23 H21 N O3 | InChI=1S/C23H21NO3/c25-22 (26)21-16-18-10-9-17(11-1 4-23(27)12-5-2-6-13-23)15 -20(18)24(21)19-7-3-1-4-8 -19/h1,3-4,7-10,15-16,27H ,2,5-6,12-13H2,(H,25,26); ZPLIUKHVFMRWNZ-UHFFFAOYSA-N |
c1ccc(cc1)n2c3cc(ccc3cc2C(=O)O)C#CC4(CCC CC4)O; OC(=O)c1cc2ccc(cc2n1c3ccccc3)C#CC 4(O)CCCCC4 |
6-[2-(1-oxidanylcyclohexyl)ethynyl]-1-phenyl-indole-2-carboxylic acid |
| 16947 | A1IS6 CHEMBL4756402 |
2 | C15 H10 Cl N O2 | InChI=1S/C15H10ClNO2/c16- 10-6-7-12-11(8-10)13(14(1 7-12)15(18)19)9-4-2-1-3-5 -9/h1-8,17H,(H,18,19); WQRNPWUZAVBEBC-UHFFFAOYSA-N |
OC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3; c1cc c(cc1)c2c3cc(ccc3[nH]c2C(=O)O)Cl |
5-chloranyl-3-phenyl-1H-indole-2-carboxylic acid |
| 16948 | A1IS7 | 2 | C24 H23 N O3 | InChI=1S/C24H23NO3/c1-17- 14-18(10-13-24(28)11-6-3- 7-12-24)15-21-20(17)16-22 (23(26)27)25(21)19-8-4-2- 5-9-19/h2,4-5,8-9,14-16,2 8H,3,6-7,11-12H2,1H3,(H,2 6,27); OQSLAIKDASKDDH-UHFFFAOYSA-N |
Cc1cc(cc2n(c3ccccc3)c(cc12)C(O)=O)C#CC4( O)CCCCC4; Cc1cc(cc2c1cc(n2c3ccccc3)C(=O) O)C#CC4(CCCCC4)O |
4-methyl-6-[2-(1-oxidanylcyclohexyl)ethynyl]-1-phenyl-indole-2-carboxylic acid |
| 16949 | A1IS8 | 1 | C19 H21 F N6 O | InChI=1S/C19H21FN6O/c20-1 5-4-7-26(12-15)19-22-5-3- 17(24-19)13-2-1-6-25(11-1 3)18(27)14-8-16(9-21)23-1 0-14/h3,5,8,10,13,15,23H, 1-2,4,6-7,11-12H2/t13-,15 +/m0/s1; IFZRSKADNXCPNJ-DZGCQCFKSA-N |
F[C@@H]1CCN(C1)c2nccc(n2)[C@H]3CCCN(C3)C (=O)c4c[nH]c(c4)C#N; c1cnc(nc1C2CCCN(C2) C(=O)c3cc([nH]c3)C#N)N4CCC(C4)F; F[CH]1C CN(C1)c2nccc(n2)[CH]3CCCN(C3)C(=O)c4c[nH ]c(c4)C#N; c1cnc(nc1[C@H]2CCCN(C2)C(=O)c 3cc([nH]c3)C#N)N4CC[C@H](C4)F |
4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile |
| 16950 | A1IS9 CHEMBL69759 DB21014 |
3 | C21 H27 N3 O3 S | InChI=1S/C21H27N3O3S/c22- 28(25,26)19-7-5-18(6-8-19 )24-14-12-23(13-15-24)11- 9-21-20-4-2-1-3-17(20)10- 16-27-21/h1-8,21H,9-16H2, (H2,22,25,26)/t21-/m0/s1; WNUQCGWXPNGORO-NRFANRHFSA-N |
c1ccc2c(c1)CCOC2CCN3CCN(CC3)c4ccc(cc4)S( =O)(=O)N; c1ccc2c(c1)CCO[C@H]2CCN3CCN(CC 3)c4ccc(cc4)S(=O)(=O)N; N[S](=O)(=O)c1cc c(cc1)N2CCN(CC[C@@H]3OCCc4ccccc34)CC2; N [S](=O)(=O)c1ccc(cc1)N2CCN(CC[CH]3OCCc4c cccc34)CC2 |
Sonepiprazole; 4-[4-[2-[(1S})-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide |
| 16951 | A1ISA | 1 | C22 H20 N4 O2 | InChI=1S/C22H20N4O2/c1-3- 15-13-20(27)26(16-9-5-4-6 -10-16)21-17(15)14-23-22( 25-21)24-18-11-7-8-12-19( 18)28-2/h4-14H,3H2,1-2H3, (H,23,24,25); HPXXVKFIRJYEBH-UHFFFAOYSA-N |
CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4cc ccc4; CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4cccc c4OC)ncc13 |
5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one |
| 16952 | A1ISB | 1 | C57 H65 Cl N8 O15 | InChI=1S/C57H65ClN8O15/c1 -32-9-7-12-44(76-6)57(74) 29-43(79-55(73)61-57)33(2 )50-56(3,81-50)45(28-47(6 8)64(4)41-26-35(25-32)27- 42(75-5)49(41)58)80-54(72 )36-15-13-34(14-16-36)19- 21-65-30-37(62-63-65)31-7 8-24-23-77-22-20-59-39-11 -8-10-38-48(39)53(71)66(5 2(38)70)40-17-18-46(67)60 -51(40)69/h7-16,26-27,30, 33,40,43-45,50,59,74H,17- 25,28-29,31H2,1-6H3,(H,61 ,73)(H,60,67,69)/b12-7+,3 2-9+/t33-,40-,43+,44-,45+ ,50+,56+,57+/m1/s1; DQTRDKCUOMYFLR-CMCLVWGBSA-N |
CO[C@@H]1\C=C\C=C(C)\Cc2cc(OC)c(Cl)c(c2) N(C)C(=O)C[C@H](OC(=O)c3ccc(CCn4cc(COCCO CCNc5cccc6C(=O)N([C@@H]7CCC(=O)NC7=O)C(= O)c56)nn4)cc3)[C@]8(C)O[C@H]8[C@H](C)[C@ @H]9C[C@@]1(O)NC(=O)O9; CC1C2CC(C(C=CC=C (Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C) OC(=O)c5ccc(cc5)CCn6cc(nn6)COCCOCCNc7ccc c8c7C(=O)N(C8=O)C9CCC(=O)NC9=O)C)C)OC)(N C(=O)O2)O; CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl )c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCn4cc( COCCOCCNc5cccc6C(=O)N([CH]7CCC(=O)NC7=O) C(=O)c56)nn4)cc3)[C]8(C)O[CH]8[CH](C)[CH ]9C[C]1(O)NC(=O)O9; C[C@@H]1[C@@H]2C[C@] ([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C (=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)c5ccc (cc5)CCn6cc(nn6)COCCOCCNc7cccc8c7C(=O)N( C8=O)[C@@H]9CCC(=O)NC9=O)C)\C)OC)(NC(=O) O2)O |
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 4-{2-[4-({2-[2-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)ethoxy]ethoxy}methyl)-1H-1,2,3-triazol-1-yl]ethyl}benzoate |
| 16953 | A1ISC | 1 | C54 H67 Cl N8 O13 | InChI=1S/C54H67ClN8O13/c1 -31-14-12-18-42(73-6)54(7 1)28-41(74-52(70)58-54)32 (2)49-53(3,76-49)43(27-46 (66)61(4)39-25-33(24-31)2 6-40(72-5)48(39)55)75-47( 67)20-10-9-15-34-29-62(60 -59-34)23-11-7-8-19-44(64 )56-37-17-13-16-35-36(37) 30-63(51(35)69)38-21-22-4 5(65)57-50(38)68/h12-14,1 6-18,25-26,29,32,38,41-43 ,49,71H,7-11,15,19-24,27- 28,30H2,1-6H3,(H,56,64)(H ,58,70)(H,57,65,68)/b18-1 2+,31-14+/t32-,38-,41+,42 -,43+,49+,53+,54+/m1/s1; PJCXSAUIJFPNHQ-TVSFCQIVSA-N |
C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc 3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H] 1O4)C)OC(=O)CCCCc5cn(nn5)CCCCCC(=O)Nc6cc cc7c6CN(C7=O)[C@@H]8CCC(=O)NC8=O)C)\C)OC )(NC(=O)O2)O; CO[C@@H]1/C=C/C=C(C)/Cc2cc (OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)CCCC c3cn(CCCCCC(=O)Nc4cccc5C(=O)N(Cc45)[C@@H ]6CCC(=O)NC6=O)nn3)[C@]7(C)O[C@H]7[C@H]( C)[C@@H]8C[C@@]1(O)NC(=O)O8; CO[CH]1C=CC =C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](O C(=O)CCCCc3cn(CCCCCC(=O)Nc4cccc5C(=O)N(C c45)[CH]6CCC(=O)NC6=O)nn3)[C]7(C)O[CH]7[ CH](C)[CH]8C[C]1(O)NC(=O)O8; CC1C2CC(C(C =CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1 O4)C)OC(=O)CCCCc5cn(nn5)CCCCCC(=O)Nc6ccc c7c6CN(C7=O)C8CCC(=O)NC8=O)C)C)OC)(NC(=O )O2)O |
(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 5-{1-[6-({(4R)-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,4-dihydro-1H-isoindol-4-yl}amino)-6-oxohexyl]-1H-1,2,3-triazol-4-yl}pentanoate |
| 16954 | A1ISD | 1 | C56 H65 Cl N8 O13 | InChI=1S/C56H65ClN8O13/c1 -31-10-7-14-44(75-6)56(73 )28-43(76-54(72)60-56)32( 2)50-55(3,78-50)45(27-48( 68)63(4)41-25-34(24-31)26 -42(74-5)49(41)57)77-53(7 1)35-18-16-33(17-19-35)22 -23-64-29-36(61-62-64)11- 8-15-46(66)58-39-13-9-12- 37-38(39)30-65(52(37)70)4 0-20-21-47(67)59-51(40)69 /h9-10,12-13,16-19,25-26, 29,32,40,43-45,50,73H,7-8 ,11,14-15,20-24,27-28,30H 2,1-6H3,(H,58,66)(H,60,72 )(H,59,67,69)/b31-10+/t32 -,40+,43+,44-,45+,50+,55+ ,56+/m1/s1; VAKRVEKVQZVNIZ-BDIGMUHSSA-N |
CO[CH]1CCC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C( =O)C[CH](OC(=O)c3ccc(CCn4cc(CCCC(=O)Nc5c ccc6C(=O)N(Cc56)[CH]7CCC(=O)NC7=O)nn4)cc 3)[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O )O9; CC1C2CC(C(CCC=C(Cc3cc(c(c(c3)OC)Cl) N(C(=O)CC(C4(C1O4)C)OC(=O)c5ccc(cc5)CCn6 cc(nn6)CCCC(=O)Nc7cccc8c7CN(C8=O)C9CCC(= O)NC9=O)C)C)OC)(NC(=O)O2)O; C[C@@H]1[C@@ H]2C[C@]([C@@H](CC/C=C(/Cc3cc(c(c(c3)OC) Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O )c5ccc(cc5)CCn6cc(nn6)CCCC(=O)Nc7cccc8c7 CN(C8=O)[C@H]9CCC(=O)NC9=O)C)\C)OC)(NC(= O)O2)O; CO[C@@H]1CC\C=C(C)\Cc2cc(OC)c(Cl )c(c2)N(C)C(=O)C[C@H](OC(=O)c3ccc(CCn4cc (CCCC(=O)Nc5cccc6C(=O)N(Cc56)[C@H]7CCC(= O)NC7=O)nn4)cc3)[C@]8(C)O[C@H]8[C@H](C)[ C@@H]9C[C@@]1(O)NC(=O)O9 |
(1S,2R,3S,5S,6S,16E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16-tetraen-6-yl 4-(2-{4-[4-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-4-oxobutyl]-1H-1,2,3-triazol-1-yl}ethyl)benzoate |
| 16955 | A1ISE | 2 | C66 H82 Cl N9 O13 S | InChI=1S/C66H82ClN9O13S/c 1-38-14-13-16-52(86-10)66 (84)33-51(87-63(83)71-66) 39(2)59-65(7,89-59)53(32- 55(79)74(8)48-29-43(28-38 )30-50(85-9)56(48)67)88-6 2(82)45-24-18-41(19-25-45 )26-27-75-35-46(72-73-75) 15-11-12-17-54(78)70-58(6 4(4,5)6)61(81)76-36-47(77 )31-49(76)60(80)68-34-42- 20-22-44(23-21-42)57-40(3 )69-37-90-57/h13-14,16,18 -25,29-30,35,37,39,47,49, 51-53,58-59,77,84H,11-12, 15,17,26-28,31-34,36H2,1- 10H3,(H,68,80)(H,70,78)(H ,71,83)/b16-13+,38-14+/t3 9-,47-,49+,51+,52-,53+,58 +,59+,65+,66+/m1/s1; DVEWGFCZXIGIAS-CIXJPGMKSA-N |
CO[C@@H]1/C=C/C=C(C)/Cc2cc(OC)c(Cl)c(c2) N(C)C(=O)C[C@H](OC(=O)c3ccc(CCn4cc(CCCCC (=O)N[C@@H](C(=O)N5C[C@H](O)C[C@H]5C(=O) NCc6ccc(cc6)c7scnc7C)C(C)(C)C)nn4)cc3)[C @]8(C)O[C@H]8[C@H](C)[C@@H]9C[C@@]1(O)NC (=O)O9; Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC( CN3C(=O)C(C(C)(C)C)NC(=O)CCCCc4cn(nn4)CC c5ccc(cc5)C(=O)OC6CC(=O)N(c7cc(cc(c7Cl)O C)CC(=CC=CC(C8(CC(C(C9C6(O9)C)C)OC(=O)N8 )O)OC)C)C)O; CO[CH]1C=CC=C(C)Cc2cc(OC)c( Cl)c(c2)N(C)C(=O)C[CH](OC(=O)c3ccc(CCn4c c(CCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C( =O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)nn4)cc3 )[C]8(C)O[CH]8[CH](C)[CH]9C[C]1(O)NC(=O) O9; Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[ C@H](CN3C(=O)[C@@H](C(C)(C)C)NC(=O)CCCCc 4cn(nn4)CCc5ccc(cc5)C(=O)O[C@H]6CC(=O)N( c7cc(cc(c7Cl)OC)C/C(=C/C=C/[C@H]([C@]8(C [C@@H]([C@H]([C@H]9C6(O9)C)C)OC(=O)N8)O) OC)/C)C)O |
N-[5-(1-{2-[4-({[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}carbonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)pentanoyl]-3-methyl-D-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
| 16956 | A1ISF | 3 | C14 H16 O | InChI=1S/C14H16O/c15-14(1 0-5-2-6-11-14)12-9-13-7-3 -1-4-8-13/h1,3-4,7-8,15H, 2,5-6,10-11H2; LBEMYSKBSYEVAG-UHFFFAOYSA-N |
c1ccc(cc1)C#CC2(CCCCC2)O; OC1(CCCCC1)C#C c2ccccc2 |
1-(2-phenylethynyl)cyclohexan-1-ol |
| 16957 | A1ISG | 4 | C22 H25 F6 N5 O3 S | InChI=1S/C22H25F6N5O3S/c2 3-14(7-11-1-2-11)17(34)31 -16(12-3-5-21(24,25)6-4-1 2)18(35)32-19-29-8-13(37- 19)9-33-10-15(22(26,27)28 )30-20(33)36/h7-8,11-12,1 5-16H,1-6,9-10H2,(H,30,36 )(H,31,34)(H,29,32,35)/b1 4-7+/t15-,16-/m0/s1; RAUBJNYJWUUXAZ-JEYQBLLFSA-N |
c1c(sc(n1)NC(=O)[C@H](C2CCC(CC2)(F)F)NC( =O)/C(=C\C3CC3)/F)CN4C[C@H](NC4=O)C(F)(F )F; FC(=CC1CC1)C(=O)N[CH](C2CCC(F)(F)CC2 )C(=O)Nc3sc(CN4C[CH](NC4=O)C(F)(F)F)cn3; c1c(sc(n1)NC(=O)C(C2CCC(CC2)(F)F)NC(=O) C(=CC3CC3)F)CN4CC(NC4=O)C(F)(F)F; FC(=C/ C1CC1)/C(=O)N[C@@H](C2CCC(F)(F)CC2)C(=O) Nc3sc(CN4C[C@H](NC4=O)C(F)(F)F)cn3 |
(E)-N-[(1S)-1-[4,4-bis(fluoranyl)cyclohexyl]-2-oxidanylidene-2-[[5-[[(4S)-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide |
| 16958 | A1ISH | 2 | C25 H26 F3 N5 O3 S | InChI=1S/C25H26F3N5O3S/c2 6-17(11-14-5-6-14)21(34)3 1-20(15-7-9-25(27,28)10-8 -15)22(35)32-23-29-12-16( 37-23)13-33-19-4-2-1-3-18 (19)30-24(33)36/h1-4,11-1 2,14-15,20H,5-10,13H2,(H, 30,36)(H,31,34)(H,29,32,3 5)/b17-11+/t20-/m0/s1; AJOCPADFBVGXDZ-KDMTZKAISA-N |
FC(=CC1CC1)C(=O)N[CH](C2CCC(F)(F)CC2)C(= O)Nc3sc(CN4C(=O)Nc5ccccc45)cn3; c1ccc2c( c1)NC(=O)N2Cc3cnc(s3)NC(=O)C(C4CCC(CC4)( F)F)NC(=O)C(=CC5CC5)F; c1ccc2c(c1)NC(=O) N2Cc3cnc(s3)NC(=O)[C@H](C4CCC(CC4)(F)F)N C(=O)/C(=C\C5CC5)/F; FC(=C/C1CC1)/C(=O)N [C@@H](C2CCC(F)(F)CC2)C(=O)Nc3sc(CN4C(=O )Nc5ccccc45)cn3 |
(E)-N-[(1S)-1-[4,4-bis(fluoranyl)cyclohexyl]-2-oxidanylidene-2-[[5-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]ethyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide |
| 16959 | A1ISI CHEMBL1479583 |
2 | C10 H8 O3 | InChI=1S/C10H8O3/c1-12-9- 4-2-3-7-8(11)5-6-13-10(7) 9/h2-6H,1H3; VLJQPDYLWJQNII-UHFFFAOYSA-N |
COc1cccc2c1OC=CC2=O; COc1cccc2C(=O)C=COc 12 |
8-methoxychromen-4-one |
| 16960 | A1ISJ | 6 | C8 H11 N2 O2 | InChI=1S/C8H10N2O2/c1-10- 5-6(8(9)11)3-4-7(10)12-2/ h3-5H,1-2H3,(H-,9,11)/p+1; DRFRNESCSMHEQV-UHFFFAOYSA-O |
C[n+]1cc(ccc1OC)C(=O)N; COc1ccc(c[n+]1C) C(N)=O |
6-methoxy-1-methyl-pyridine-3-carboxamide |
| 16961 | A1ISK | 1 | C31 H43 N5 O8 S | InChI=1S/C31H43N5O8S/c1-1 7(2)13-22(34-28(40)24(18( 3)4)36-31(42)44-15-19-9-7 -6-8-10-19)27(39)33-21(14 -20-11-12-32-26(20)38)25( 37)29-35-23(16-45-29)30(4 1)43-5/h6-10,16-18,20-22, 24-25,37H,11-15H2,1-5H3,( H,32,38)(H,33,39)(H,34,40 )(H,36,42)/t20-,21-,22-,2 4?,25+/m0/s1; VXGLAHXNQFYSAB-ZLCZASCPSA-N |
COC(=O)c1csc(n1)[C@@H](O)[C@H](C[C@@H]2C CNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N C(=O)OCc3ccccc3)C(C)C; CC(C)CC(C(=O)NC(C C1CCNC1=O)C(c2nc(cs2)C(=O)OC)O)NC(=O)C(C (C)C)NC(=O)OCc3ccccc3; COC(=O)c1csc(n1)[ CH](O)[CH](C[CH]2CCNC2=O)NC(=O)[CH](CC(C )C)NC(=O)[CH](NC(=O)OCc3ccccc3)C(C)C; CC (C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O) [C@@H](c2nc(cs2)C(=O)OC)O)NC(=O)[C@H](C( C)C)NC(=O)OCc3ccccc3 |
methyl 2-[(1S,2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propyl]-1,3-thiazole-4-carboxylate |
| 16962 | A1ISN CHEMBL1732186 |
1 | C12 H10 O3 | InChI=1S/C12H10O3/c13-12( 14)8-15-11-6-5-9-3-1-2-4- 10(9)7-11/h1-7H,8H2,(H,13 ,14); RZCJYMOBWVJQGV-UHFFFAOYSA-N |
c1ccc2cc(ccc2c1)OCC(=O)O; OC(=O)COc1ccc2 ccccc2c1 |
2-naphthalen-2-yloxyethanoic acid |
| 16963 | A1ISO CHEMBL3561940 |
2 | C7 H17 N | InChI=1S/C7H17N/c1-2-3-4- 5-6-7-8/h2-8H2,1H3; WJYIASZWHGOTOU-UHFFFAOYSA-N |
CCCCCCCN | n-heptylamine; heptan-1-amine |
| 16964 | A1ISP | 2 | C22 H26 N4 O4 | InChI=1S/C22H26N4O4/c1-2- 23-16-7-4-12-5-8-17(16)25 (12)13-3-6-14-15(11-13)22 (30)26(21(14)29)18-9-10-1 9(27)24-20(18)28/h3,6,11- 12,16-18,23H,2,4-5,7-10H2 ,1H3,(H,24,27,28)/t12-,16 +,17-,18-/m0/s1; QAKJEKTXKXAPBP-LSZYVWPRSA-N |
CCN[C@@H]1CC[C@H]2CC[C@@H]1N2c3ccc4C(=O) N([C@H]5CCC(=O)NC5=O)C(=O)c4c3; CCN[CH]1 CC[CH]2CC[CH]1N2c3ccc4C(=O)N([CH]5CCC(=O )NC5=O)C(=O)c4c3; CCNC1CCC2CCC1N2c3ccc4c (c3)C(=O)N(C4=O)C5CCC(=O)NC5=O; CCN[C@@H ]1CC[C@H]2CC[C@@H]1N2c3ccc4c(c3)C(=O)N(C 4=O)[C@H]5CCC(=O)NC5=O |
2-[(3S)-2,6-bis(oxidanylidene)piperidin-3-yl]-5-[(1S,2R,5S)-2-(ethylamino)-8-azabicyclo[3.2.1]octan-8-yl]isoindole-1,3-dione |
| 16965 | A1ISQ | 7 | C19 H21 N7 | InChI=1S/C19H21N7/c1-25-8 -5-14(6-9-25)26-19-16(18( 20)22-11-23-19)17(24-26)1 3-3-2-12-4-7-21-15(12)10- 13/h2-4,7,10-11,14,21H,5- 6,8-9H2,1H3,(H2,20,22,23); XWRZTNJWUCCXRZ-UHFFFAOYSA-N |
CN1CCC(CC1)n2c3c(c(n2)c4ccc5cc[nH]c5c4)c (ncn3)N; CN1CCC(CC1)n2nc(c3ccc4cc[nH]c4c 3)c5c(N)ncnc25 |
3-(1H-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine |
| 16966 | A1ISR | 2 | C22 H27 Cl N4 O4 S2 | InChI=1S/C22H27ClN4O4S2/c 23-18-8-7-17(33-18)22(31) 26-11-9-16(21(30)25-10-4- 12-32-14-19(24)28)27-20(2 9)13-15-5-2-1-3-6-15/h1-3 ,5-8,16H,4,9-14H2,(H2,24, 28)(H,25,30)(H,26,31)(H,2 7,29)/t16-/m0/s1; LWUPTHGARXCPBD-INIZCTEOSA-N |
NC(=O)CSCCCNC(=O)[C@H](CCNC(=O)c1sc(Cl)c c1)NC(=O)Cc2ccccc2; c1ccc(cc1)CC(=O)NC(C CNC(=O)c2ccc(s2)Cl)C(=O)NCCCSCC(=O)N; NC (=O)CSCCCNC(=O)[CH](CCNC(=O)c1sc(Cl)cc1) NC(=O)Cc2ccccc2; c1ccc(cc1)CC(=O)N[C@@H] (CCNC(=O)c2ccc(s2)Cl)C(=O)NCCCSCC(=O)N |
~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-4-oxidanylidene-3-(2-phenylethanoylamino)butyl]-5-chloranyl-thiophene-2-carboxamide |
| 16967 | A1ISS CHEMBL2022868 |
4 | C12 H9 N3 | InChI=1S/C12H9N3/c1-2-4-1 2-11(3-1)10(5-6-13-12)9-7 -14-15-8-9/h1-8H,(H,14,15 ); PJKFKLYKZFIEHG-UHFFFAOYSA-N |
[nH]1cc(cn1)c2ccnc3ccccc23; c1ccc2c(c1)c (ccn2)c3c[nH]nc3 |
4-(1H-pyrazol-4-yl)quinoline |
| 16968 | A1IST | 2 | C12 H10 N4 | InChI=1S/C12H10N4/c1-8-14 -12(16-15-8)10-6-7-13-11- 5-3-2-4-9(10)11/h2-7H,1H3 ,(H,14,15,16); VBJAMIUIUPPGLI-UHFFFAOYSA-N |
Cc1[nH]c(nn1)c2ccnc3c2cccc3; Cc1[nH]c(nn 1)c2ccnc3ccccc23 |
4-(5-methyl-4H-1,2,4-triazol-3-yl)quinoline |
| 16969 | A1ISU CHEMBL1451208 |
1 | C6 H5 Cl2 N | InChI=1S/C6H5Cl2N/c7-4-1- 5(8)3-6(9)2-4/h1-3H,9H2; UQRLKWGPEVNVHT-UHFFFAOYSA-N |
c1c(cc(cc1Cl)Cl)N; Nc1cc(Cl)cc(Cl)c1 | 3,5-bis(chloranyl)aniline; 3,5-dichloroaniline |
| 16970 | A1ISV CHEMBL5019909 |
2 | C14 H10 N6 | InChI=1S/C14H10N6/c15-14- 18-12(10-7-17-20-13(10)19 -14)9-5-1-3-8-4-2-6-16-11 (8)9/h1-7H,(H3,15,17,18,1 9,20); AQECLDMGKPHFHU-UHFFFAOYSA-N |
c1cc2cccnc2c(c1)c3c4cn[nH]c4nc(n3)N; Nc1 nc2[nH]ncc2c(n1)c3cccc4cccnc34 |
4-quinolin-8-yl-1H-pyrazolo[3,4-d]pyrimidin-6-amine |
| 16971 | A1ISW | 2 | C3 H4 N2 O | InChI=1S/C3H4N2O/c6-3-4-1 -2-5-3/h1-3,6H; LJNHIGKEMMWLEI-UHFFFAOYSA-N |
C1=NC(N=C1)O; OC1N=CC=N1 | 2H-imidazol-2-ol |
| 16972 | A1ISY CHEMBL1609052 |
2 | C10 H11 N3 | InChI=1S/C10H11N3/c1-7-9( 10(11)13-12-7)8-5-3-2-4-6 -8/h2-6H,1H3,(H3,11,12,13 ); UMDNRKCXSUJMCY-UHFFFAOYSA-N |
Cc1c(c(n[nH]1)N)c2ccccc2; Cc1[nH]nc(N)c1 c2ccccc2 |
5-methyl-4-phenyl-1H-pyrazol-3-amine |
| 16973 | A1ISZ | 2 | C13 H10 N4 | InChI=1S/C13H10N4/c14-13- 16-7-10(8-17-13)11-5-1-3- 9-4-2-6-15-12(9)11/h1-8H, (H2,14,16,17); LTRKOHDAXGVHHP-UHFFFAOYSA-N |
Nc1ncc(cn1)c2cccc3cccnc23; c1cc2cccnc2c( c1)c3cnc(nc3)N |
5-quinolin-8-ylpyrimidin-2-amine |
| 16974 | A1IT0 | 1 | C8 H15 N O4 S | InChI=1S/C8H15NO4S/c1-14( 12,13)9-8(7(10)11)5-3-2-4 -6-8/h9H,2-6H2,1H3,(H,10, 11); RCNDFOGWOOSJJO-UHFFFAOYSA-N |
C[S](=O)(=O)NC1(CCCCC1)C(O)=O; CS(=O)(=O )NC1(CCCCC1)C(=O)O |
1-(methylsulfonylamino)cyclohexane-1-carboxylic acid |
| 16975 | A1IT1 | 2 | C27 H26 N2 O2 | InChI=1S/C27H26N2O2/c30-2 6-17-24(22-13-7-8-14-23(2 2)26)27(31)29-16-15-28(18 -20-9-3-1-4-10-20)25(19-2 9)21-11-5-2-6-12-21/h1-14 ,24-25H,15-19H2/t24-,25+/ m1/s1; UTDHFZWVCNRNGD-RPBOFIJWSA-N |
O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H]( C2)c4ccccc4)c5ccccc15; c1ccc(cc1)CN2CCN( C[C@H]2c3ccccc3)C(=O)[C@@H]4CC(=O)c5c4cc cc5; c1ccc(cc1)CN2CCN(CC2c3ccccc3)C(=O)C 4CC(=O)c5c4cccc5; O=C1C[CH](C(=O)N2CCN(C c3ccccc3)[CH](C2)c4ccccc4)c5ccccc15 |
(3~{R})-3-[(3~{R})-3-phenyl-4-(phenylmethyl)piperazin-1-yl]carbonyl-2,3-dihydroinden-1-one; (3R)-3-[(3R)-4-benzyl-3-phenyl-piperidine-1-carbonyl]indan-1-one |
| 16976 | A1IT2 | 4 | C24 H20 N2 O3 | InChI=1S/C24H20N2O3/c27-2 2-15-21(19-13-7-8-14-20(1 9)22)24(29)25-16-23(28)26 (17-9-3-1-4-10-17)18-11-5 -2-6-12-18/h1-14,21H,15-1 6H2,(H,25,29)/t21-/m1/s1; OVTASNKGDKQWNA-OAQYLSRUSA-N |
O=C(CNC(=O)[C@@H]1CC(=O)c2ccccc12)N(c3cc ccc3)c4ccccc4; c1ccc(cc1)N(c2ccccc2)C(=O )CNC(=O)[C@@H]3CC(=O)c4c3cccc4; O=C(CNC( =O)[CH]1CC(=O)c2ccccc12)N(c3ccccc3)c4ccc cc4; c1ccc(cc1)N(c2ccccc2)C(=O)CNC(=O)C3 CC(=O)c4c3cccc4 |
(1~{R})-~{N}-[2-(diphenylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxamide; (1R)-3-oxo-N-[2-oxo-2-(N-phenylanilino)ethyl]indane-1-carboxamide |
| 16977 | A1IT3 | 1 | C9 H13 N2 O8 P S | InChI=1S/C9H13N2O8PS/c12- 5-1-2-11(9(14)10-5)8-7(21 )6(13)4(19-8)3-18-20(15,1 6)17/h1-2,4,6-8,13,21H,3H 2,(H,10,12,14)(H2,15,16,1 7)/t4-,6-,7-,8-/m1/s1; NYWGEABRDXTLQJ-XVFCMESISA-N |
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)COP(=O)(O)O)O)S; C1=CN(C(=O)NC1=O) C2C(C(C(O2)COP(=O)(O)O)O)S; O[CH]1[CH](S )[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2= O; O[C@H]1[C@@H](S)[C@@H](O[C@@H]1CO[P]( O)(O)=O)N2C=CC(=O)NC2=O |
2'-thiouridine-5'-monophosphate; ((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-mercaptotetrahydrofuran-2-yl)methyl dihydrogen phosphate; [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-sulfanyl-oxolan-2-yl]methyl dihydrogen phosphate; 2'-SH UMP |
| 16978 | A1IT4 | 1 | C8 H12 N3 O10 P | InChI=1S/C8H12N3O10P/c12- 3-2(1-20-22(17,18)19)21-5 (4(3)13)11-7(15)9-6(14)10 -8(11)16/h2-5,12-13H,1H2, (H2,17,18,19)(H2,9,10,14, 15,16)/t2-,3-,4-,5-/m1/s1; AEXLPCNSEAEGAT-TXICZTDVSA-N |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)( O)=O)N2C(=O)NC(=O)NC2=O; O[CH]1[CH](O)[C H](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)NC2= O; C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=O )NC(=O)NC2=O)O)O)OP(=O)(O)O; C(C1C(C(C(O 1)N2C(=O)NC(=O)NC2=O)O)O)OP(=O)(O)O |
1-(beta-D-Ribofuranosyl)cyanuric acid-5'-monophosphate; [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[2,4,6-tris(oxidanylidene)-1,3,5-triazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate; ((2R,3S,4R,5R)-3,4-dihydroxy-5-(2,4,6-trioxo-1,3,5-triazinan-1-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate |
| 16979 | A1IT5 | 4 | C19 H23 N3 O6 S | InChI=1S/C19H23N3O6S/c1-1 2-17(23)19(25)18(24)16(28 -12)11-20-29(26,27)15-9-7 -14(8-10-15)22-21-13-5-3- 2-4-6-13/h2-10,12,16-20,2 3-25H,11H2,1H3/b22-21-/t1 2-,16+,17+,18+,19+/m0/s1; FZXKDZRYIBYABH-GHJLDVCKSA-N |
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CNS(= O)(=O)c2ccc(cc2)/N=N\c3ccccc3)O)O)O; C[C @@H]1O[C@H](CN[S](=O)(=O)c2ccc(cc2)N=Nc3 ccccc3)[C@@H](O)[C@H](O)[C@@H]1O; C[CH]1 O[CH](CN[S](=O)(=O)c2ccc(cc2)N=Nc3ccccc3 )[CH](O)[CH](O)[CH]1O; CC1C(C(C(C(O1)CNS (=O)(=O)c2ccc(cc2)N=Nc3ccccc3)O)O)O |
~{N}-[[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]methyl]-4-[(~{Z})-phenyldiazenyl]benzenesulfonamide |
| 16980 | A1IT6 | 2 | C25 H32 Cl F N8 O9 P2 | InChI=1S/C25H32ClFN8O9P2/ c1-2-8-33(10-15-3-5-16(6- 4-15)17-11-34(9-7-27)32-3 1-17)22-19-23(30-25(26)29 -22)35(13-28-19)24-21(37) 20(36)18(44-24)12-43-46(4 1,42)14-45(38,39)40/h3-6, 11,13,18,20-21,24,36-37H, 2,7-10,12,14H2,1H3,(H,41, 42)(H2,38,39,40)/t18-,20- ,21-,24-/m1/s1; HUGOUIYDRYRLCG-UMCMBGNQSA-N |
CCCN(Cc1ccc(cc1)c2cn(CCF)nn2)c3nc(Cl)nc4 n(cnc34)[C@@H]5O[C@H](CO[P](O)(=O)C[P](O )(O)=O)[C@@H](O)[C@H]5O; CCCN(Cc1ccc(cc1 )c2cn(nn2)CCF)c3c4c(nc(n3)Cl)n(cn4)[C@H] 5[C@@H]([C@@H]([C@H](O5)COP(=O)(CP(=O)(O )O)O)O)O; CCCN(Cc1ccc(cc1)c2cn(CCF)nn2)c 3nc(Cl)nc4n(cnc34)[CH]5O[CH](CO[P](O)(=O )C[P](O)(O)=O)[CH](O)[CH]5O; CCCN(Cc1ccc (cc1)c2cn(nn2)CCF)c3c4c(nc(n3)Cl)n(cn4)C 5C(C(C(O5)COP(=O)(CP(=O)(O)O)O)O)O |
[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[[4-[1-(2-fluoranylethyl)-1,2,3-triazol-4-yl]phenyl]methyl-propyl-amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 16981 | A1IT7 | 1 | C5 H4 F N O S | InChI=1S/C5H4FNOS/c6-4-1- 2-7(8)5(9)3-4/h1-3,8H; NGZXOBUWPMKLPU-UHFFFAOYSA-N |
ON1C=CC(=CC1=S)F; C1=CN(C(=S)C=C1F)O | 4-fluoranyl-1-oxidanyl-pyridine-2-thione; 4-fluoro-1-hydroxypyridine-2(1H)-thione |
| 16982 | A1IT8 CHEMBL4303142 DB06212 |
1 | C26 H25 Cl N2 O3 | InChI=1S/C26H25ClN2O3/c1- 16-6-3-4-7-20(16)25(31)28 -19-10-11-21(17(2)14-19)2 6(32)29-13-5-8-24(30)22-1 5-18(27)9-12-23(22)29/h3- 4,6-7,9-12,14-15,24,30H,5 ,8,13H2,1-2H3,(H,28,31)/t 24-/m1/s1; GYHCTFXIZSNGJT-XMMPIXPASA-N |
Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N3CCC[C H](O)c4cc(Cl)ccc34; Cc1ccccc1C(=O)Nc2ccc (c(c2)C)C(=O)N3CCCC(c4c3ccc(c4)Cl)O; Cc1 ccccc1C(=O)Nc2ccc(c(c2)C)C(=O)N3CCC[C@H] (c4c3ccc(c4)Cl)O; Cc1ccccc1C(=O)Nc2ccc(c (C)c2)C(=O)N3CCC[C@@H](O)c4cc(Cl)ccc34 |
(R)-Tolvaptan |
| 16983 | A1IT9 CHEMBL2103855 DB14218 |
2 | C25 H22 Cl F3 N6 O3 | InChI=1S/C25H22ClF3N6O3/c 1-13-8-9-35(34-13)20-11-1 6(26)6-7-17(20)22(25(27,2 8)29)38-21-12-19(32-24(31 )33-21)15-4-2-14(3-5-15)1 0-18(30)23(36)37/h2-9,11- 12,18,22H,10,30H2,1H3,(H, 36,37)(H2,31,32,33)/t18-, 22+/m0/s1; NCLGDOBQAWBXRA-PGRDOPGGSA-N |
Cc1ccn(n1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc( nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N)Cl; C c1ccn(n1)c2cc(Cl)ccc2[CH](Oc3cc(nc(N)n3) c4ccc(C[CH](N)C(O)=O)cc4)C(F)(F)F; Cc1cc n(n1)c2cc(ccc2C(C(F)(F)F)Oc3cc(nc(n3)N)c 4ccc(cc4)CC(C(=O)O)N)Cl; Cc1ccn(n1)c2cc( Cl)ccc2[C@@H](Oc3cc(nc(N)n3)c4ccc(C[C@H] (N)C(O)=O)cc4)C(F)(F)F |
Telotristat; LP778902; (2~{S})-2-azanyl-3-[4-[2-azanyl-6-[(1~{R})-1-[4-chloranyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid |
| 16984 | A1ITA | 1 | C23 H25 N9 O2 | InChI=1S/C23H25N9O2/c1-25 -22-19(16-11-26-12-17-18( 16)27-13-31(17)2)29-20(21 (24)33)23(30-22)28-14-3-5 -15(6-4-14)32-7-9-34-10-8 -32/h3-6,11-13H,7-10H2,1- 2H3,(H2,24,33)(H2,25,28,3 0); LHHRWQSZVGBCHK-UHFFFAOYSA-N |
CNc1nc(Nc2ccc(cc2)N3CCOCC3)c(nc1c4cncc5n (C)cnc45)C(N)=O; CNc1c(nc(c(n1)Nc2ccc(cc 2)N3CCOCC3)C(=O)N)c4cncc5c4ncn5C |
5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide |
| 16985 | A1ITB | 1 | C21 H20 F3 N9 O | InChI=1S/C21H20F3N9O/c1-1 0-13(7-33(31-10)8-21(22,2 3)24)28-20-18(19(25)34)29 -17(15(30-20)11-3-4-11)12 -5-26-6-14-16(12)27-9-32( 14)2/h5-7,9,11H,3-4,8H2,1 -2H3,(H2,25,34)(H,28,30); YLGMPWWMPCGYBF-UHFFFAOYSA-N |
Cn1cnc2c1cncc2c3nc(C(N)=O)c(Nc4cn(CC(F)( F)F)nc4C)nc3C5CC5; Cc1c(cn(n1)CC(F)(F)F) Nc2c(nc(c(n2)C3CC3)c4cncc5c4ncn5C)C(=O)N |
5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide |
| 16986 | A1ITC | 1 | C23 H23 N7 O2 | InChI=1S/C23H23N7O2/c1-29 -14-26-20-17(3-2-4-19(20) 29)18-13-25-23(21(28-18)2 2(24)31)27-15-5-7-16(8-6- 15)30-9-11-32-12-10-30/h2 -8,13-14H,9-12H2,1H3,(H2, 24,31)(H,25,27); AFUGKASDRSHPJZ-UHFFFAOYSA-N |
Cn1cnc2c1cccc2c3cnc(Nc4ccc(cc4)N5CCOCC5) c(n3)C(N)=O; Cn1cnc2c1cccc2c3cnc(c(n3)C( =O)N)Nc4ccc(cc4)N5CCOCC5 |
6-(1-methylbenzimidazol-4-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide |
| 16987 | A1ITD CHEMBL4437946 |
3 | C14 H16 O3 | InChI=1S/C14H16O3/c1-4-5- 6-7-12(15)11-8-9(2)13(16) 10(3)14(11)17/h4-8,16-17H ,1-3H3/b5-4?,7-6+; RKKPUBAAIGFXOG-VFABXPAXSA-N |
CC=CC=CC(=O)c1cc(C)c(O)c(C)c1O; CC=C\C=C \C(=O)c1cc(C)c(O)c(C)c1O; CC=CC=CC(=O)c1 cc(c(c(c1O)C)O)C; CC=C/C=C/C(=O)c1cc(c(c (c1O)C)O)C |
(2~{Z})-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexa-2,4-dien-1-one |
| 16988 | A1ITF | 1 | C20 H23 F N6 O2 | InChI=1S/C20H23FN6O2/c1-2 9-17-7-14(10-27(12-17)19( 28)13-6-16(8-22)24-9-13)1 8-2-4-23-20(25-18)26-5-3- 15(21)11-26/h2,4,6,9,14-1 5,17,24H,3,5,7,10-12H2,1H 3/t14-,15+,17+/m0/s1; OVZHFGJRKASRRF-ZMSDIMECSA-N |
CO[C@@H]1C[C@@H](CN(C1)C(=O)c2c[nH]c(c2) C#N)c3ccnc(n3)N4CC[C@@H](F)C4; CO[CH]1C[ CH](CN(C1)C(=O)c2c[nH]c(c2)C#N)c3ccnc(n3 )N4CC[CH](F)C4; COC1CC(CN(C1)C(=O)c2cc([ nH]c2)C#N)c3ccnc(n3)N4CCC(C4)F; CO[C@@H] 1C[C@@H](CN(C1)C(=O)c2cc([nH]c2)C#N)c3cc nc(n3)N4CC[C@H](C4)F |
4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile |
| 16989 | A1ITG | 4 | C18 H13 Br4 N O2 | InChI=1S/C18H13Br4NO2/c1- 6(2)23-7-4-3-5-8(24)9(7)1 2-17(23)10-11(18(12)25)14 (20)16(22)15(21)13(10)19/ h6H,3-5H2,1-2H3; HCEYYNWPRCEIOJ-UHFFFAOYSA-N |
CC(C)n1c2c(c3c1-c4c(c(c(c(c4Br)Br)Br)Br) C3=O)C(=O)CCC2; CC(C)n1c2CCCC(=O)c2c3C(= O)c4c(Br)c(Br)c(Br)c(Br)c4c13 |
1,2,3,4-tetrakis(bromanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione |
| 16990 | A1ITH | 1 | C18 H21 Cl N2 | InChI=1S/C18H21ClN2/c1-20 -11-4-12-21-17-6-3-2-5-14 (17)7-8-15-9-10-16(19)13- 18(15)21/h2-3,5-6,9-10,13 ,20H,4,7-8,11-12H2,1H3; VPIXQGUBUKFLRF-UHFFFAOYSA-N |
CNCCCN1c2ccccc2CCc3c1cc(cc3)Cl; CNCCCN1c 2ccccc2CCc3ccc(Cl)cc13 |
Norclomipramine; 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine; Desmethylclomipramine |
| 16991 | A1ITI | 2 | C25 H29 Br N4 O2 S | InChI=1S/C25H29BrN4O2S/c1 -3-17-13-19(26)6-5-18(17) 16-30-11-10-29(9-7-22(30) 24(31)28-4-2)25(32)21-14- 27-15-23-20(21)8-12-33-23 /h5-6,8,12-15,22H,3-4,7,9 -11,16H2,1-2H3,(H,28,31)/ t22-/m1/s1; XJUPLZSRHVEZGN-JOCHJYFZSA-N |
CCc1cc(ccc1CN2CCN(CCC2C(=O)NCC)C(=O)c3cn cc4c3ccs4)Br; CCNC(=O)[C@H]1CCN(CCN1Cc2c cc(Br)cc2CC)C(=O)c3cncc4sccc34; CCc1cc(c cc1CN2CCN(CC[C@@H]2C(=O)NCC)C(=O)c3cncc4 c3ccs4)Br; CCNC(=O)[CH]1CCN(CCN1Cc2ccc(B r)cc2CC)C(=O)c3cncc4sccc34 |
(5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-~{N}-ethyl-1-thieno[2,3-c]pyridin-4-ylcarbonyl-1,4-diazepane-5-carboxamide |
| 16992 | A1ITJ | 2 | C23 H28 Br Cl N4 O2 | InChI=1S/C23H28BrClN4O2/c 1-3-16-11-19(24)6-5-17(16 )15-29-10-9-28(8-7-21(29) 22(30)27-4-2)23(31)18-12- 20(25)14-26-13-18/h5-6,11 -14,21H,3-4,7-10,15H2,1-2 H3,(H,27,30)/t21-/m1/s1; LNSKXOLGTQJMBP-OAQYLSRUSA-N |
CCc1cc(ccc1CN2CCN(CC[C@@H]2C(=O)NCC)C(=O )c3cc(cnc3)Cl)Br; CCNC(=O)[C@H]1CCN(CCN1 Cc2ccc(Br)cc2CC)C(=O)c3cncc(Cl)c3; CCNC( =O)[CH]1CCN(CCN1Cc2ccc(Br)cc2CC)C(=O)c3c ncc(Cl)c3; CCc1cc(ccc1CN2CCN(CCC2C(=O)NC C)C(=O)c3cc(cnc3)Cl)Br |
(5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-5-carboxamide |
| 16993 | A1ITN | 4 | C20 H26 N6 O | InChI=1S/C20H26N6O/c1-13( 2)27-16-6-4-14(5-7-16)18- 17-19(21)22-12-23-20(17)2 6(24-18)15-8-10-25(3)11-9 -15/h4-7,12-13,15H,8-11H2 ,1-3H3,(H2,21,22,23); VEHOUOASHQBMIK-UHFFFAOYSA-N |
CC(C)Oc1ccc(cc1)c2c3c(ncnc3n(n2)C4CCN(CC 4)C)N; CC(C)Oc1ccc(cc1)c2nn(C3CCN(C)CC3) c4ncnc(N)c24 |
1-(1-methylpiperidin-4-yl)-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine |
| 16994 | A1ITO | 1 | C16 H12 Cl N O2 | InChI=1S/C16H12ClNO2/c17- 10-4-3-5-11(8-10)18-16(20 )14-9-15(19)13-7-2-1-6-12 (13)14/h1-8,14H,9H2,(H,18 ,20)/t14-/m1/s1; RFLUKYBYMRHLOS-CQSZACIVSA-N |
c1ccc2c(c1)C(CC2=O)C(=O)Nc3cccc(c3)Cl; C lc1cccc(NC(=O)[C@@H]2CC(=O)c3ccccc23)c1; Clc1cccc(NC(=O)[CH]2CC(=O)c3ccccc23)c1; c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3cccc(c3 )Cl |
(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide; (1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide |
| 16995 | A1ITP | 2 | C26 H21 Cl N2 O3 | InChI=1S/C26H21ClN2O3/c27 -17-5-3-6-20(15-17)29(19- 12-10-18(11-13-19)28-14-4 -9-25(28)31)26(32)23-16-2 4(30)22-8-2-1-7-21(22)23/ h1-3,5-8,10-13,15,23H,4,9 ,14,16H2/t23-/m1/s1; QHXYLNDXNZHBPZ-HSZRJFAPSA-N |
Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23) c4ccc(cc4)N5CCCC5=O; Clc1cccc(c1)N(C(=O) [C@@H]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5 =O; c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3) N4CCCC4=O)c5cccc(c5)Cl; c1ccc2c(c1)[C@@H ](CC2=O)C(=O)N(c3ccc(cc3)N4CCCC4=O)c5ccc c(c5)Cl |
(1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide; (1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide |
| 16996 | A1ITQ | 4 | C22 H26 Cl2 N4 O4 S2 | InChI=1S/C22H26Cl2N4O4S2/ c23-15-4-1-3-14(11-15)12- 20(30)28-16(21(31)26-8-2- 10-33-13-19(25)29)7-9-27- 22(32)17-5-6-18(24)34-17/ h1,3-6,11,16H,2,7-10,12-1 3H2,(H2,25,29)(H,26,31)(H ,27,32)(H,28,30)/t16-/m0/ s1; AHAKNDPOUBPYNA-INIZCTEOSA-N |
c1cc(cc(c1)Cl)CC(=O)N[C@@H](CCNC(=O)c2cc c(s2)Cl)C(=O)NCCCSCC(=O)N; c1cc(cc(c1)Cl )CC(=O)NC(CCNC(=O)c2ccc(s2)Cl)C(=O)NCCCS CC(=O)N; NC(=O)CSCCCNC(=O)[CH](CCNC(=O)c 1sc(Cl)cc1)NC(=O)Cc2cccc(Cl)c2; NC(=O)CS CCCNC(=O)[C@H](CCNC(=O)c1sc(Cl)cc1)NC(=O )Cc2cccc(Cl)c2 |
~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide |
| 16997 | A1ITR | 4 | C19 H14 N4 O4 S | InChI=1S/C19H14N4O4S/c24- 16(21-12-7-5-11(6-8-12)18 (25)26)10-28-19-23-22-17( 27-19)14-9-20-15-4-2-1-3- 13(14)15/h1-9,20H,10H2,(H ,21,24)(H,25,26); DHEYLYPADJBRNO-UHFFFAOYSA-N |
OC(=O)c1ccc(NC(=O)CSc2oc(nn2)c3c[nH]c4cc ccc34)cc1; c1ccc2c(c1)c(c[nH]2)c3nnc(o3) SCC(=O)Nc4ccc(cc4)C(=O)O |
4-[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoylamino]benzoic acid; 4-[[2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate |
| 16998 | A1ITS | 0 | C5 H13 As N O4 | InChI=1S/C5H13AsNO4/c1-6( 2,10)11-3-4(7)5(8)9/h4,6H ,3,7H2,1-2H3,(H,8,9)/t4-/ m0/s1; RHSGPVBAOTUISV-BYPYZUCNSA-N |
C[AsH](=O)(C)OC[C@@H](C(=O)O)N; C[AsH](C )(=O)OC[C@H](N)C(O)=O; C[AsH](=O)(C)OCC( C(=O)O)N; C[AsH](C)(=O)OC[CH](N)C(O)=O |
S-dimethylarsinoyl-serine |
| 16999 | A1ITT | 1 | C24 H31 Cl N2 O2 | InChI=1S/C24H31ClN2O2/c1- 2-29-24(28)10-7-16-26-15- 5-6-17-27-22-9-4-3-8-19(2 2)11-12-20-13-14-21(25)18 -23(20)27/h3-4,8-9,13-14, 18,26H,2,5-7,10-12,15-17H 2,1H3; JBZZTILMWOVNNR-UHFFFAOYSA-N |
CCOC(=O)CCCNCCCCN1c2ccccc2CCc3c1cc(cc3)C l; CCOC(=O)CCCNCCCCN1c2ccccc2CCc3ccc(Cl) cc13 |
ethyl 4-[4-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)butylamino]butanoate |
| 17000 | A1ITU CHEMBL5410627 |
1 | C36 H47 N3 O4 | InChI=1S/C36H47N3O4/c1-5- 19-39-20-8-6-7-12-26-13-9 -14-27(21-26)22-32(38-34( 41)28-15-10-16-29(23-28)3 5(39)42)33(40)25-37-36(2, 3)30-17-11-18-31(24-30)43 -4/h9-11,13-18,21,23-24,3 2-33,37,40H,5-8,12,19-20, 22,25H2,1-4H3,(H,38,41)/t 32-,33+/m0/s1; PYBIHWRQNXYDCA-JHOUSYSJSA-N |
CCCN1CCCCCc2cccc(C[CH](NC(=O)c3cccc(c3)C 1=O)[CH](O)CNC(C)(C)c4cccc(OC)c4)c2; CCC N1CCCCCc2cccc(c2)C[C@H](NC(=O)c3cccc(c3) C1=O)[C@@H](CNC(C)(C)c4cccc(c4)OC)O; CCC N1CCCCCc2cccc(c2)CC(NC(=O)c3cccc(c3)C1=O )C(CNC(C)(C)c4cccc(c4)OC)O; CCCN1CCCCCc2 cccc(C[C@H](NC(=O)c3cccc(c3)C1=O)[C@H](O )CNC(C)(C)c4cccc(OC)c4)c2 |
(4S)-4-[(1R)-2-[2-(3-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-propyl-3,16-diazatricyclo[16.3.1.1^{6,10}]tricosa-1(21),6,8,10(23),18(22),19-hexaene-2,17-dione |