 | | 86I | | Name: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole | | Formula: | C25 H22 N8 S | | SMILES: | CCCc1nc2n(Cc3ccc4nc(sc4c3)c5ccccc5c6[nH]nnn6)ccc(C)c2n1 | | InChi: | InChI=1S/C25H22N8S/c1-3-6-21-27-22-15(2)11-12-33(24(22)28-21)14-16-9-10-19-20(13-16)34-25(26-19)18-8-5-4-7-17(18)23-29-31-32-30-23/h4-5,7-13H,3,6,14H2,1-2H3,(H,29,30,31,32) | | Definition date: | 2022-03-03 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole |
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 | | 8K3 | | Name: | 3-(2-azanylethyl)-1H-indole-5-carboxamide | | Formula: | C11 H13 N3 O | | SMILES: | NCCc1c[nH]c2ccc(cc12)C(N)=O | | InChi: | InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | | Definition date: | 2022-03-08 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 3-(2-azanylethyl)-1~{H}-indole-5-carboxamide |
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 | | O50 | | Name: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide | | Formula: | C23 H20 N6 O | | SMILES: | O=C(Nc1ccc(cn1)c1cnccn1)Cc1cc(C)c(nc1)c1ccnc(C)c1 | | InChi: | InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30) | | Definition date: | 2022-04-22 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide |
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 | | QFC | | Name: | Mezigdomide | | Formula: | C32 H30 F N5 O4 | | SMILES: | O=C1NC(=O)CCC1N1Cc2c(cccc2OCc2ccc(cc2)CN2CCN(CC2)c2ccc(C#N)cc2F)C1=O | | InChi: | InChI=1S/C32H30FN5O4/c33-26-16-23(17-34)8-9-27(26)37-14-12-36(13-15-37)18-21-4-6-22(7-5-21)20-42-29-3-1-2-24-25(29)19-38(32(24)41)28-10-11-30(39)35-31(28)40/h1-9,16,28H,10-15,18-20H2,(H,35,39,40)/t28-/m0/s1 | | Definition date: | 2022-06-08 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | 4-[4-({4-[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}oxy)methyl]phenyl}methyl)piperazin-1-yl]-3-fluorobenzonitrile |
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 | | IQT | | Name: | Korormicin | | Formula: | C25 H39 N O5 | | SMILES: | CCCCCCCC[CH]1O[CH]1CC=CC=C[CH](O)CC(=O)NC2=C[C](C)(CC)OC2=O | | InChi: | InChI=1S/C25H39NO5/c1-4-6-7-8-9-12-15-21-22(30-21)16-13-10-11-14-19(27)17-23(28)26-20-18-25(3,5-2)31-24(20)29/h10-11,13-14,18-19,21-22,27H,4-9,12,15-17H2,1-3H3,(H,26,28)/b13-10+,14-11?/t19-,21+,22-,25-/m0/s1 | | Definition date: | 2022-07-11 | | Last modified: | 2022-07-15 | | Release date: | 2022-07-20 | | Identifier: | (3~{R})-~{N}-[(5~{S})-5-ethyl-5-methyl-2-oxidanylidene-furan-3-yl]-8-[(2~{S},3~{R})-3-octyloxiran-2-yl]-3-oxidanyl-octa-4,6-dienamide |
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 | | RXI | | Name: | (6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid | | Formula: | C18 H20 N6 O4 | | SMILES: | O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1Cc2nnc(C)n2CC1C(=O)O | | InChi: | InChI=1S/C18H20N6O4/c1-10-21-22-15-9-24(14(17(26)27)8-23(10)15)16(25)11-2-4-12(5-3-11)19-18(28)20-13-6-7-13/h2-5,13-14H,6-9H2,1H3,(H,26,27)(H2,19,20,28)/t14-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-11 | | Release date: | 2022-07-13 | | Identifier: | (4S,6S)-7-[4-(cyclopropylcarbamamido)benzoyl]-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid |
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 | | RXX | | Name: | 9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine | | Formula: | C14 H13 N7 O S | | SMILES: | Nc1nc(N)nc2c1ncn2Cc1csc(n1)c1oc(C)cc1 | | InChi: | InChI=1S/C14H13N7OS/c1-7-2-3-9(22-7)13-18-8(5-23-13)4-21-6-17-10-11(15)19-14(16)20-12(10)21/h2-3,5-6H,4H2,1H3,(H4,15,16,19,20) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine |
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 | | RY6 | | Name: | (1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C18 H17 N3 O5 | | SMILES: | NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C18H17N3O5/c19-18(26)20-10-6-4-9(5-7-10)16(23)21-15-11-2-1-3-14(22)12(11)8-13(15)17(24)25/h1-7,13,15,22H,8H2,(H,21,23)(H,24,25)(H3,19,20,26)/t13-,15+/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RYC | | Name: | (1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C18 H17 N3 O5 | | SMILES: | NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C18H17N3O5/c19-18(26)20-10-6-4-9(5-7-10)16(23)21-15-11-2-1-3-14(22)12(11)8-13(15)17(24)25/h1-7,13,15,22H,8H2,(H,21,23)(H,24,25)(H3,19,20,26)/t13-,15+/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | RYI | | Name: | (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione | | Formula: | C14 H18 N4 O2 S | | SMILES: | O=S1(=O)CCC2(CCCN(C2)c2ncnc3[NH]ccc32)C1 | | InChi: | InChI=1S/C14H18N4O2S/c19-21(20)7-4-14(9-21)3-1-6-18(8-14)13-11-2-5-15-12(11)16-10-17-13/h2,5,10H,1,3-4,6-9H2,(H,15,16,17)/t14-/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione |
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 | | RYQ | | Name: | 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine | | Formula: | C10 H11 N7 S | | SMILES: | Cc1nc(Cn2cnc3c(N)nc(N)nc23)cs1 | | InChi: | InChI=1S/C10H11N7S/c1-5-14-6(3-18-5)2-17-4-13-7-8(11)15-10(12)16-9(7)17/h3-4H,2H2,1H3,(H4,11,12,15,16) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine |
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 | | RZ9 | | Name: | 5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one | | Formula: | C13 H14 N6 O2 | | SMILES: | O=C1NN=C(O1)C1CN(CCC1)c1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C13H14N6O2/c20-13-18-17-12(21-13)8-2-1-5-19(6-8)11-9-3-4-14-10(9)15-7-16-11/h3-4,7-8H,1-2,5-6H2,(H,18,20)(H,14,15,16)/t8-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one |
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 | | RZI | | Name: | 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine | | Formula: | C12 H13 N7 S | | SMILES: | Nc1nc(N)nc2c1ncn2Cc1csc(n1)C1CC1 | | InChi: | InChI=1S/C12H13N7S/c13-9-8-10(18-12(14)17-9)19(5-15-8)3-7-4-20-11(16-7)6-1-2-6/h4-6H,1-3H2,(H4,13,14,17,18) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine |
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 | | RZR | | Name: | (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C19 H19 N3 O4 | | SMILES: | CNC(=O)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O | | InChi: | InChI=1S/C19H19N3O4/c1-20-19(26)21-13-8-6-11(7-9-13)17(23)22-16-14-5-3-2-4-12(14)10-15(16)18(24)25/h2-9,15-16H,10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)/t15-,16-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | S09 | | Name: | (1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C24 H21 N3 O5 | | SMILES: | O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | S0T | | Name: | (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C24 H21 N3 O5 | | SMILES: | O=C(Nc1ccccc1)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O | | InChi: | InChI=1S/C24H21N3O5/c28-20-8-4-7-17-18(20)13-19(23(30)31)21(17)27-22(29)14-9-11-16(12-10-14)26-24(32)25-15-5-2-1-3-6-15/h1-12,19,21,28H,13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t19-,21+/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | S1F | | Name: | (1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C19 H18 N2 O5 | | SMILES: | O=C(OC)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O | | InChi: | InChI=1S/C19H18N2O5/c1-26-19(25)20-13-8-6-11(7-9-13)17(22)21-16-14-5-3-2-4-12(14)10-15(16)18(23)24/h2-9,15-16H,10H2,1H3,(H,20,25)(H,21,22)(H,23,24)/t15-,16+/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | S1O | | Name: | {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol | | Formula: | C14 H17 N7 O | | SMILES: | OCc1cn(nn1)C1CN(CCC1)c1ncnc2[NH]ccc21 | | InChi: | InChI=1S/C14H17N7O/c22-8-10-6-21(19-18-10)11-2-1-5-20(7-11)14-12-3-4-15-13(12)16-9-17-14/h3-4,6,9,11,22H,1-2,5,7-8H2,(H,15,16,17)/t11-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol |
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 | | S1X | | Name: | (1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C21 H20 N2 O4 | | SMILES: | O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1 | | InChi: | InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | S2R | | Name: | (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C21 H20 N2 O4 | | SMILES: | O=C(Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O)C1CC1 | | InChi: | InChI=1S/C21H20N2O4/c24-19(12-5-6-12)22-15-9-7-13(8-10-15)20(25)23-18-16-4-2-1-3-14(16)11-17(18)21(26)27/h1-4,7-10,12,17-18H,5-6,11H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18+/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | S3E | | Name: | [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid | | Formula: | C12 H14 N4 O3 | | SMILES: | O=C(O)CC1CN(CCO1)c1ncnc2[NH]ccc12 | | InChi: | InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m0/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid |
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 | | S3R | | Name: | 5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine | | Formula: | C11 H14 Cl N7 | | SMILES: | Nc1ncc(Cl)nc1NCc1nnc(C)n1C1CC1 | | InChi: | InChI=1S/C11H14ClN7/c1-6-17-18-9(19(6)7-2-3-7)5-15-11-10(13)14-4-8(12)16-11/h4,7H,2-3,5H2,1H3,(H2,13,14)(H,15,16) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine |
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 | | S4F | | Name: | 3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid | | Formula: | C12 H17 Cl N4 O2 | | SMILES: | O=C(O)CCC1CCCN(C1)c1ncnc(N)c1Cl | | InChi: | InChI=1S/C12H17ClN4O2/c13-10-11(14)15-7-16-12(10)17-5-1-2-8(6-17)3-4-9(18)19/h7-8H,1-6H2,(H,18,19)(H2,14,15,16)/t8-/m1/s1 | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid |
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 | | S4O | | Name: | 4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one | | Formula: | C13 H13 N3 O5 | | SMILES: | OC=1C=C(OC(=O)C=1)C(=O)N1Cc2n(C)nc(O)c2CC1 | | InChi: | InChI=1S/C13H13N3O5/c1-15-9-6-16(3-2-8(9)12(19)14-15)13(20)10-4-7(17)5-11(18)21-10/h4-5,17H,2-3,6H2,1H3,(H,14,19) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one |
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 | | S50 | | Name: | 1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide | | Formula: | C16 H19 N5 O2 S | | SMILES: | O=S(=O)(Nc1cc2cc[NH]c2nc1)c1cc(C)nn1C1CCCC1 | | InChi: | InChI=1S/C16H19N5O2S/c1-11-8-15(21(19-11)14-4-2-3-5-14)24(22,23)20-13-9-12-6-7-17-16(12)18-10-13/h6-10,14,20H,2-5H2,1H3,(H,17,18) | | Definition date: | 2022-06-23 | | Last modified: | 2022-07-08 | | Release date: | 2022-07-13 | | Identifier: | 1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide |
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