 | | X8J | | Name: | 5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | | Formula: | C26 H31 N7 O2 | | SMILES: | n3c(Nc2c(cc(N1CCN(C)CC1)cc2)OC)ncc4c3N(C)c5c(C(N4CC)=O)cccc5 | | InChi: | InChI=1S/C26H31N7O2/c1-5-33-22-17-27-26(29-24(22)31(3)21-9-7-6-8-19(21)25(33)34)28-20-11-10-18(16-23(20)35-4)32-14-12-30(2)13-15-32/h6-11,16-17H,5,12-15H2,1-4H3,(H,27,28,29) | | Definition date: | 2020-12-03 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
|
 | | XBD | | Name: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | | Formula: | C26 H28 F3 N7 O2 | | SMILES: | n3c(Nc2ccc(N1CCN(C)CC1)cc2OC)ncc4c3N(C)c5ccccc5C(N4CC(F)(F)F)=O | | InChi: | InChI=1S/C26H28F3N7O2/c1-33-10-12-35(13-11-33)17-8-9-19(22(14-17)38-3)31-25-30-15-21-23(32-25)34(2)20-7-5-4-6-18(20)24(37)36(21)16-26(27,28)29/h4-9,14-15H,10-13,16H2,1-3H3,(H,30,31,32) | | Definition date: | 2020-12-08 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5-(2,2,2-trifluoroethyl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
|
 | | YHD | | Name: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide | | Formula: | C20 H25 B N2 O3 | | SMILES: | O=C(NC(Cc1ccc(cc1)c1ccccc1)B(O)O)C1CCCN1C | | InChi: | InChI=1S/C20H25BN2O3/c1-23-13-5-8-18(23)20(24)22-19(21(25)26)14-15-9-11-17(12-10-15)16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19,25-26H,5,8,13-14H2,1H3,(H,22,24)/t18-,19-/m0/s1 | | Definition date: | 2021-03-08 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide |
|
 | | X7Y | | Name: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | | Formula: | C25 H29 N7 O2 | | SMILES: | n3c(Nc2c(cc(N1CCN(C)CC1)cc2)OC)ncc4c3N(C)c5c(C(N4C)=O)cccc5 | | InChi: | InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28) | | Definition date: | 2020-12-03 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | 2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
|
 | | 7T8 | | Name: | (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate | | Formula: | C31 H37 N O10 | | SMILES: | CC(=O)OC1CCC2(C)C(CC(OC(C)=O)C3(C)OC=4C=C(OC(=O)C=4C(O)C32)c2cccnc2)C1(C)COC(C)=O | | InChi: | InChI=1S/C31H37NO10/c1-16(33)38-15-30(5)22-13-24(40-18(3)35)31(6)27(29(22,4)10-9-23(30)39-17(2)34)26(36)25-21(42-31)12-20(41-28(25)37)19-8-7-11-32-14-19/h7-8,11-12,14,22-24,26-27,36H,9-10,13,15H2,1-6H3/t22-,23+,24+,26+,27-,29+,30+,31-/m1/s1 | | Definition date: | 2021-08-19 | | Last modified: | 2021-09-17 | | Release date: | 2021-09-22 | | Identifier: | (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-4-[(acetyloxy)methyl]-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,6-diyl diacetate |
|
 | | YXG | | Name: | Milvexian | | Formula: | C28 H23 Cl2 F2 N9 O2 | | SMILES: | Clc1cn(nn1)c1ccc(Cl)cc1C=1N=CN(C(=O)C=1)C1CCCC(C)C(=O)Nc2cnn(C(F)F)c2c2cc1ncc2 | | InChi: | InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1 | | Synonyms: | BMS-986177 | | Definition date: | 2021-04-05 | | Last modified: | 2021-09-10 | | Release date: | 2021-09-15 | | Identifier: | (6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11-(metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one |
|
 | | VJM | | Name: | 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine | | Formula: | C20 H26 N6 O2 S | | SMILES: | CC1COCCN1c5cc(C2(S(C)(N)O)CC2)nc(c3ccnc4c3ccn4)n5 | | InChi: | InChI=1S/C20H26N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,27H,5-6,9-10,12,21H2,1-2H3,(H,22,23)/t13-/m1/s1 | | Definition date: | 2020-08-17 | | Last modified: | 2021-08-20 | | Release date: | 2021-08-25 | | Identifier: | 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine |
|
 | | ZMD | | Name: | (3S)-2,1-benzoxaborole-1,3(3H)-diol | | Formula: | C7 H7 B O3 | | SMILES: | OB1OC(O)c2ccccc12 | | InChi: | InChI=1S/C7H7BO3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7,9-10H/t7-/m0/s1 | | Definition date: | 2021-05-07 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (3S)-2,1-benzoxaborole-1,3(3H)-diol |
|
 | | UGZ | | Name: | N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide | | Formula: | C25 H27 Cl N2 O5 S | | SMILES: | COc1cc(ccc1CNCCN[S](C)(=O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3 | | InChi: | InChI=1S/C25H27ClN2O5S/c1-31-23-14-17(6-7-19(23)16-27-10-11-28-34(2,29)30)20-4-3-5-21(25(20)26)18-8-9-22-24(15-18)33-13-12-32-22/h3-9,14-15,27-28H,10-13,16H2,1-2H3 | | Synonyms: | ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide | | Definition date: | 2021-02-23 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide |
|
 | | RXW | | Name: | (5-methyl-1H-indazol-6-yl)boronic acid | | Formula: | C8 H9 B N2 O2 | | SMILES: | Cc1cc2cn[nH]c2cc1B(O)O | | InChi: | InChI=1S/C8H9BN2O2/c1-5-2-6-4-10-11-8(6)3-7(5)9(12)13/h2-4,12-13H,1H3,(H,10,11) | | Synonyms: | 5-Methyl-1H-indazole-6-boronic acid | | Definition date: | 2020-10-31 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | (5-methyl-1~{H}-indazol-6-yl)boronic acid |
|
 | | RY2 | | Name: | (3-(1H-tetrazol-5-yl)phenyl)boronic acid | | Formula: | C7 H7 B N4 O2 | | SMILES: | OB(O)c1cccc(c1)c2n[nH]nn2 | | InChi: | InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12) | | Synonyms: | [3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid | | Definition date: | 2020-10-31 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid |
|
 | | RZZ | | Name: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid | | Formula: | C8 H7 B O4 | | SMILES: | OB1OCc2ccc(cc12)C(O)=O | | InChi: | InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11) | | Synonyms: | 1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid | | Definition date: | 2020-11-04 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 1-oxidanyl-3~{H}-2,1-benzoxaborole-6-carboxylic acid |
|
 | | S08 | | Name: | 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid | | Formula: | C18 H17 B N2 O6 | | SMILES: | NC(=O)[CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c3ccccc3 | | InChi: | InChI=1S/C18H17BN2O6/c20-17(24)16(10-4-2-1-3-5-10)21-18(25)11-6-7-12-13(8-11)19(26)27-14(12)9-15(22)23/h1-8,14,16,26H,9H2,(H2,20,24)(H,21,25)(H,22,23)/t14-,16+/m0/s1 | | Synonyms: | 2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid | | Definition date: | 2020-11-04 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-[(3~{S})-6-[[(1~{R})-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
|
 | | S0Z | | Name: | methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate | | Formula: | C17 H16 B N O5 | | SMILES: | COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3 | | InChi: | InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1 | | Synonyms: | methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate | | Definition date: | 2020-11-04 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate |
|
 | | S1B | | Name: | 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one | | Formula: | C15 H19 B N2 O4 | | SMILES: | CN1CCN(C(=O)c2ccc3COB(O)c3c2)C(C)(C)C1=O | | InChi: | InChI=1S/C15H19BN2O4/c1-15(2)14(20)17(3)6-7-18(15)13(19)10-4-5-11-9-22-16(21)12(11)8-10/h4-5,8,21H,6-7,9H2,1-3H3 | | Synonyms: | 1,3,3-trimethyl-4-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one | | Definition date: | 2020-11-04 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 1,3,3-trimethyl-4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one |
|
 | | S1E | | Name: | N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide | | Formula: | C22 H20 B N O3 | | SMILES: | OB1OCc2ccc(cc12)C(=O)N(Cc3ccccc3)Cc4ccccc4 | | InChi: | InChI=1S/C22H20BNO3/c25-22(19-11-12-20-16-27-23(26)21(20)13-19)24(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2 | | Synonyms: | 1-oxidanyl-N,N-bis(phenylmethyl)-3H-2,1-benzoxaborole-6-carboxamide | | Definition date: | 2020-11-05 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 1-oxidanyl-~{N},~{N}-bis(phenylmethyl)-3~{H}-2,1-benzoxaborole-6-carboxamide |
|
 | | S1K | | Name: | 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid | | Formula: | C16 H15 B O5 | | SMILES: | OB1O[CH](CC(O)=O)c2cc(OCc3ccccc3)ccc12 | | InChi: | InChI=1S/C16H15BO5/c18-16(19)9-15-13-8-12(6-7-14(13)17(20)22-15)21-10-11-4-2-1-3-5-11/h1-8,15,20H,9-10H2,(H,18,19)/t15-/m0/s1 | | Synonyms: | 2-[(3S)-1-oxidanyl-5-phenylmethoxy-3H-2,1-benzoxaborol-3-yl]ethanoic acid | | Definition date: | 2020-11-05 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | 2-[(3~{S})-1-oxidanyl-5-phenylmethoxy-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid |
|
 | | GZO | | Name: | methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate | | Formula: | C20 H19 F N8 O2 | | SMILES: | COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24 | | InChi: | InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26) | | Definition date: | 2020-10-15 | | Last modified: | 2021-08-06 | | Release date: | 2021-08-11 | | Identifier: | methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate |
|
 | | J00 | | Name: | 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid | | Formula: | C10 H9 B O4 | | SMILES: | OB1O[CH](C(=C)C(O)=O)c2ccccc12 | | InChi: | InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m1/s1 | | Synonyms: | (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid | | Definition date: | 2021-03-08 | | Last modified: | 2021-07-30 | | Release date: | 2021-08-04 | | Identifier: | 2-[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]prop-2-enoic acid |
|
 | | LKW | | Name: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid | | Formula: | C22 H17 N3 O4 | | SMILES: | CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4ccc(cc4)C(O)=O | | InChi: | InChI=1S/C22H17N3O4/c1-2-12-3-5-14(6-4-12)19-18-16(22(28)29)11-17(23-20(18)25-24-19)13-7-9-15(10-8-13)21(26)27/h3-11H,2H2,1H3,(H,26,27)(H,28,29)(H,23,24,25) | | Definition date: | 2019-08-22 | | Last modified: | 2021-07-16 | | Release date: | 2021-07-21 | | Identifier: | 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
|
 | | 06N | | Name: | 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol | | Formula: | C13 H14 N4 O S | | SMILES: | CCCNc1sc2ncc(n2n1)c3ccc(O)cc3 | | InChi: | InChI=1S/C13H14N4OS/c1-2-7-14-12-16-17-11(8-15-13(17)19-12)9-3-5-10(18)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,14,16) | | Definition date: | 2021-05-31 | | Last modified: | 2021-07-16 | | Release date: | 2021-07-21 | | Identifier: | 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol |
|
 | | XXV | | Name: | 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide | | Formula: | C19 H22 N6 O3 S | | SMILES: | C1(N(CCOC1)c5cc(C2(CC2)S(N)(=O)=O)nc(c4ccnc3c4ccn3)n5)C | | InChi: | InChI=1S/C19H22N6O3S/c1-12-11-28-9-8-25(12)16-10-15(19(4-5-19)29(20,26)27)23-18(24-16)14-3-7-22-17-13(14)2-6-21-17/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H,21,22)(H2,20,26,27)/t12-/m1/s1 | | Definition date: | 2021-01-18 | | Last modified: | 2021-07-09 | | Release date: | 2021-07-14 | | Identifier: | 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide |
|
 | | YHP | | Name: | N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | | Formula: | C29 H25 F4 N5 O2 | | SMILES: | FC(F)(F)c1cccc(c1)C(=O)NC1C(=O)N(CC)c2c(C1c1ccc(F)cc1)c(nn2c1ccccc1)CN | | InChi: | InChI=1S/C29H25F4N5O2/c1-2-37-27-24(22(16-34)36-38(27)21-9-4-3-5-10-21)23(17-11-13-20(30)14-12-17)25(28(37)40)35-26(39)18-7-6-8-19(15-18)29(31,32)33/h3-15,23,25H,2,16,34H2,1H3,(H,35,39)/t23-,25-/m0/s1 | | Definition date: | 2021-03-09 | | Last modified: | 2021-07-09 | | Release date: | 2021-07-14 | | Identifier: | N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide |
|
 | | YOS | | Name: | [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid | | Formula: | C27 H30 F N3 O3 | | SMILES: | Fc1cc(c(OC)cc1)c1ccnc2[NH]c(cc12)C1=CCN(CC1)C1CCC(CC(=O)O)CC1 | | InChi: | InChI=1S/C27H30FN3O3/c1-34-25-7-4-19(28)15-22(25)21-8-11-29-27-23(21)16-24(30-27)18-9-12-31(13-10-18)20-5-2-17(3-6-20)14-26(32)33/h4,7-9,11,15-17,20H,2-3,5-6,10,12-14H2,1H3,(H,29,30)(H,32,33)/t17-,20- | | Definition date: | 2021-03-18 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | [(1r,4r)-4-{4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydropyridin-1(2H)-yl}cyclohexyl]acetic acid |
|
 | | WEG | | Name: | 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine | | Formula: | C16 H12 N4 | | SMILES: | c1ccc(cc1)c2nc4c(c2)cc(c3cnnc3)cn4 | | InChi: | InChI=1S/C16H12N4/c1-2-4-11(5-3-1)15-7-12-6-13(8-17-16(12)20-15)14-9-18-19-10-14/h1-10H,(H,17,20)(H,18,19) | | Definition date: | 2020-10-21 | | Last modified: | 2021-07-02 | | Release date: | 2021-07-07 | | Identifier: | 2-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine |
|
