 | | A1ILY | | Name: | ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide | | Formula: | C22 H27 Cl N2 O2 | | SMILES: | CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2 | | InChi: | InChI=1S/C22H27ClN2O2/c1-3-22(26)25(15(2)16-4-6-17(23)7-5-16)19-9-12-20(13-10-19)27-21-11-8-18(24)14-21/h4-7,9-10,12-13,15,18,21H,3,8,11,14,24H2,1-2H3/t15?,18-,21+/m0/s1 | | Definition date: | 2024-08-20 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide |
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 | | YPO | | Name: | N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide | | Formula: | C18 H17 F3 N2 O2 | | SMILES: | O=C(C)Nc1ccc(cc1N)C(=O)CCc1ccc(cc1)C(F)(F)F | | InChi: | InChI=1S/C18H17F3N2O2/c1-11(24)23-16-8-5-13(10-15(16)22)17(25)9-4-12-2-6-14(7-3-12)18(19,20)21/h2-3,5-8,10H,4,9,22H2,1H3,(H,23,24) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide |
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 | | YQ5 | | Name: | 5-fluoro-6-[5-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide | | Formula: | C25 H24 F4 N8 O4 S | | SMILES: | NS(=O)(=O)c1cc(F)c(nc1)C(=O)N1CC=2CN(CC=2C1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | | InChi: | InChI=1S/C25H24F4N8O4S/c1-14-32-34-37(33-14)13-16-6-19(25(27,28)29)4-2-15(16)3-5-22(38)35-9-17-11-36(12-18(17)10-35)24(39)23-21(26)7-20(8-31-23)42(30,40)41/h2,4,6-8H,3,5,9-13H2,1H3,(H2,30,40,41) | | Definition date: | 2023-06-19 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 5-fluoro-6-[5-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide |
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 | | YDE | | Name: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{4-[(propan-2-yl)oxy]-7-(trifluoromethyl)quinolin-2-yl}methanone | | Formula: | C29 H27 F3 N6 O3 | | SMILES: | CC(C)Oc1cc(nc2cc(ccc12)C(F)(F)F)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C29H27F3N6O3/c1-14(2)41-26-9-25(33-23-8-16(29(30,31)32)4-5-17(23)26)28(40)38-12-20-18-10-37(11-19(18)21(20)13-38)27(39)15-3-6-22-24(7-15)35-36-34-22/h3-9,14,18-21H,10-13H2,1-2H3,(H,34,35,36) | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{4-[(propan-2-yl)oxy]-7-(trifluoromethyl)quinolin-2-yl}methanone |
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 | | YDN | | Name: | 1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one | | Formula: | C23 H22 F3 N5 O3 | | SMILES: | FC(F)(F)Oc1ccc(cc1)CCC(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C23H22F3N5O3/c24-23(25,26)34-18-5-1-14(2-6-18)3-8-21(32)30-10-16-12-31(13-17(16)11-30)22(33)15-4-7-19-20(9-15)28-29-27-19/h1-2,4-7,9,16-17H,3,8,10-13H2,(H,27,28,29) | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one |
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 | | A1IRY | | Name: | Mycobactin S | | Formula: | C46 H70 Fe N5 O10 | | SMILES: | CCCCCCCCCCCCCCCCCC=CC(=O)[N]1CCCC[CH]2NC(=O)[CH]3COC(=N3)c4ccccc4O[Fe+3](O1)O[N]5CCCC[CH](NC(=O)C[CH](C)OC2=O)C5=O | | InChi: | InChI=1S/C46H71N5O10.Fe/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56 | | Synonyms: | [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 | | Definition date: | 2024-10-14 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 |
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 | | YDS | | Name: | N-{5-cyano-2-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenyl}-2,2-dimethylpropanamide | | Formula: | C16 H19 N5 O3 | | SMILES: | CC(C)(C)C(=O)Nc1cc(C#N)ccc1OCC1=NNC(=O)N1C | | InChi: | InChI=1S/C16H19N5O3/c1-16(2,3)14(22)18-11-7-10(8-17)5-6-12(11)24-9-13-19-20-15(23)21(13)4/h5-7H,9H2,1-4H3,(H,18,22)(H,20,23) | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-{5-cyano-2-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy]phenyl}-2,2-dimethylpropanamide |
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 | | YEU | | Name: | (5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C13 H16 Cl N3 O | | SMILES: | CC(C)c1cc(Cl)c(C)cc1C1=NNC(=O)N1C | | InChi: | InChI=1S/C13H16ClN3O/c1-7(2)9-6-11(14)8(3)5-10(9)12-15-16-13(18)17(12)4/h5-7H,1-4H3,(H,16,18) | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (5M)-5-[4-chloro-5-methyl-2-(propan-2-yl)phenyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | YFL | | Name: | N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide | | Formula: | C24 H31 N5 O | | SMILES: | CC(C)c1ccc(cc1)Nc1ccc(cn1)CN(CCCCn1ccnc1)C(C)=O | | InChi: | InChI=1S/C24H31N5O/c1-19(2)22-7-9-23(10-8-22)27-24-11-6-21(16-26-24)17-29(20(3)30)14-5-4-13-28-15-12-25-18-28/h6-12,15-16,18-19H,4-5,13-14,17H2,1-3H3,(H,26,27) | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | N-[4-(1H-imidazol-1-yl)butyl]-N-({6-[4-(propan-2-yl)anilino]pyridin-3-yl}methyl)acetamide |
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 | | YG6 | | Name: | 1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one | | Formula: | C31 H39 N5 O3 | | SMILES: | CC(C)c1cc2CCC(C)(C)c2cc1OCC(=O)N1CCC2CN(CC2CC1)C(=O)c1cc2nn[NH]c2cc1 | | InChi: | InChI=1S/C31H39N5O3/c1-19(2)24-13-20-7-10-31(3,4)25(20)15-28(24)39-18-29(37)35-11-8-22-16-36(17-23(22)9-12-35)30(38)21-5-6-26-27(14-21)33-34-32-26/h5-6,13-15,19,22-23H,7-12,16-18H2,1-4H3,(H,32,33,34) | | Definition date: | 2023-06-13 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-2-{[3,3-dimethyl-6-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]oxy}ethan-1-one |
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 | | A1ARZ | | Name: | 2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile | | Formula: | C28 H31 F3 N6 | | SMILES: | CN1CCC(Nc2cccc3n(CC(F)(F)F)c(C#CCNc4ccc(nc4)C(C)(C)C#N)cc23)CC1 | | InChi: | InChI=1S/C28H31F3N6/c1-27(2,18-32)26-10-9-21(17-34-26)33-13-5-6-22-16-23-24(35-20-11-14-36(3)15-12-20)7-4-8-25(23)37(22)19-28(29,30)31/h4,7-10,16-17,20,33,35H,11-15,19H2,1-3H3 | | Definition date: | 2024-05-14 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-methyl-2-{5-[(3-{4-[(1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl}prop-2-yn-1-yl)amino]pyridin-2-yl}propanenitrile |
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 | | A1L6N | | Name: | ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide | | Formula: | C25 H26 N4 O4 | | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)c3[nH]c4ccccc4c3 | | InChi: | InChI=1S/C25H26N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h1-9,14-15,18-19,21,28H,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1 | | Definition date: | 2024-12-04 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]-1~{H}-indole-2-carboxamide |
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 | | A1A0O | | Name: | 1-deoxy-1-(morpholin-4-yl)-D-fructose | | Formula: | C10 H19 N O6 | | SMILES: | O=C(CN1CCOCC1)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C10H19NO6/c12-6-8(14)10(16)9(15)7(13)5-11-1-3-17-4-2-11/h8-10,12,14-16H,1-6H2/t8-,9-,10-/m1/s1 | | Synonyms: | 1-Deoxy-1-morpholino-D-fructose | | Definition date: | 2024-08-01 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 1-deoxy-1-(morpholin-4-yl)-D-fructose |
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 | | A1A1A | | Name: | 4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one | | Formula: | C22 H26 N6 O2 | | SMILES: | CC(C)n1cnnc1c1cccc(n1)N1Cc2c(cc(cc2C(N)CC)OC)C1=O | | InChi: | InChI=1S/C22H26N6O2/c1-5-18(23)15-9-14(30-4)10-16-17(15)11-27(22(16)29)20-8-6-7-19(25-20)21-26-24-12-28(21)13(2)3/h6-10,12-13,18H,5,11,23H2,1-4H3/t18-/m1/s1 | | Definition date: | 2024-08-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[(1R)-1-aminopropyl]-6-methoxy-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one |
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 | | A1A1E | | Name: | 4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one | | Formula: | C19 H20 N6 O | | SMILES: | CC(C)n1cnnc1c1cccc(n1)N1Cc2c(cccc2CN)C1=O | | InChi: | InChI=1S/C19H20N6O/c1-12(2)25-11-21-23-18(25)16-7-4-8-17(22-16)24-10-15-13(9-20)5-3-6-14(15)19(24)26/h3-8,11-12H,9-10,20H2,1-2H3 | | Definition date: | 2024-08-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-(aminomethyl)-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one |
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 | | XDB | | Name: | 3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide | | Formula: | C25 H28 F4 N6 O3 S2 | | SMILES: | NS(=O)(=O)c1ccc(SCC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1 | | InChi: | InChI=1S/C25H28F4N6O3S2/c1-16-31-33-35(32-16)14-19-12-20(25(27,28)29)4-2-18(19)3-7-24(36)34-10-8-17(9-11-34)15-39-23-6-5-21(13-22(23)26)40(30,37)38/h2,4-6,12-13,17H,3,7-11,14-15H2,1H3,(H2,30,37,38) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-fluoro-4-({[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}sulfanyl)benzene-1-sulfonamide |
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 | | XET | | Name: | [6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone | | Formula: | C22 H26 F3 N5 O4 S | | SMILES: | O=S(C)(=O)N1CC2(CCN2C(=O)c2cnc(NCc3cc(cc(OC(F)(F)F)c3)C(C)C)nc2)C1 | | InChi: | InChI=1S/C22H26F3N5O4S/c1-14(2)16-6-15(7-18(8-16)34-22(23,24)25)9-26-20-27-10-17(11-28-20)19(31)30-5-4-21(30)12-29(13-21)35(3,32)33/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3,(H,26,27,28) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | [6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone |
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 | | XEX | | Name: | (3R)-3-(3-bromophenyl)-3-(2-{2-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxyphenoxy}acetamido)-N-methylpropanamide | | Formula: | C23 H26 Br F2 N3 O4 | | SMILES: | Brc1cccc(c1)C(CC(=O)NC)NC(=O)COc1c(cccc1CN1CC(F)(F)C1)OC | | InChi: | InChI=1S/C23H26BrF2N3O4/c1-27-20(30)10-18(15-5-3-7-17(24)9-15)28-21(31)12-33-22-16(6-4-8-19(22)32-2)11-29-13-23(25,26)14-29/h3-9,18H,10-14H2,1-2H3,(H,27,30)(H,28,31) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | (3R)-3-(3-bromophenyl)-3-(2-{2-[(3,3-difluoroazetidin-1-yl)methyl]-6-methoxyphenoxy}acetamido)-N-methylpropanamide |
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 | | XH0 | | Name: | 2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide | | Formula: | C23 H28 F3 N7 O4 S3 | | SMILES: | O=S(N)(=O)c1cnc(s1)S(=O)CCC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | | InChi: | InChI=1S/C23H28F3N7O4S3/c1-15-29-31-33(30-15)14-18-12-19(23(24,25)26)4-2-17(18)3-5-20(34)32-9-6-16(7-10-32)8-11-39(35)22-28-13-21(38-22)40(27,36)37/h2,4,12-13,16H,3,5-11,14H2,1H3,(H2,27,36,37)/t39-/m1/s1 | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 2-{(R)-2-[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]ethanesulfinyl}-1,3-thiazole-5-sulfonamide |
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 | | XH6 | | Name: | 3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole | | Formula: | C18 H19 Cl N2 O | | SMILES: | CC(C)c1cc(Cl)c(C)cc1OCc1n[NH]c2ccccc21 | | InChi: | InChI=1S/C18H19ClN2O/c1-11(2)14-9-15(19)12(3)8-18(14)22-10-17-13-6-4-5-7-16(13)20-21-17/h4-9,11H,10H2,1-3H3,(H,20,21) | | Definition date: | 2023-06-06 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-1H-indazole |
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 | | XJU | | Name: | 3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide | | Formula: | C22 H23 Cl2 N3 O3 | | SMILES: | Clc1ccc(CCC(=O)NC2Cc3ccccc3CN(CC(=O)NC)C2=O)c(Cl)c1 | | InChi: | InChI=1S/C22H23Cl2N3O3/c1-25-21(29)13-27-12-16-5-3-2-4-15(16)10-19(22(27)30)26-20(28)9-7-14-6-8-17(23)11-18(14)24/h2-6,8,11,19H,7,9-10,12-13H2,1H3,(H,25,29)(H,26,28) | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-(2,4-dichlorophenyl)-N-{(4R)-2-[2-(methylamino)-2-oxoethyl]-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl}propanamide |
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 | | XLE | | Name: | 4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}benzene-1-sulfonamide | | Formula: | C25 H29 F3 N6 O3 S | | SMILES: | NS(=O)(=O)c1ccc(cc1)CC1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | | InChi: | InChI=1S/C25H29F3N6O3S/c1-17-30-32-34(31-17)16-21-15-22(25(26,27)28)6-4-20(21)5-9-24(35)33-12-10-19(11-13-33)14-18-2-7-23(8-3-18)38(29,36)37/h2-4,6-8,15,19H,5,9-14,16H2,1H3,(H2,29,36,37) | | Definition date: | 2023-06-07 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]methyl}benzene-1-sulfonamide |
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 | | XQW | | Name: | 4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide | | Formula: | C23 H26 F3 N7 O5 S2 | | SMILES: | NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F | | InChi: | InChI=1S/C23H26F3N7O5S2/c1-16-28-30-33(29-16)15-18-14-19(23(24,25)26)4-2-17(18)3-9-22(34)31-10-12-32(13-11-31)40(37,38)21-7-5-20(6-8-21)39(27,35)36/h2,4-8,14H,3,9-13,15H2,1H3,(H2,27,35,36) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazine-1-sulfonyl]benzene-1-sulfonamide |
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 | | XR0 | | Name: | 3-fluoro-4-{[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]methyl}benzene-1-sulfonamide | | Formula: | C24 H27 F4 N7 O3 S | | SMILES: | NS(=O)(=O)c1ccc(CN2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1 | | InChi: | InChI=1S/C24H27F4N7O3S/c1-16-30-32-35(31-16)15-19-12-20(24(26,27)28)5-2-17(19)4-7-23(36)34-10-8-33(9-11-34)14-18-3-6-21(13-22(18)25)39(29,37)38/h2-3,5-6,12-13H,4,7-11,14-15H2,1H3,(H2,29,37,38) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-fluoro-4-{[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]methyl}benzene-1-sulfonamide |
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 | | XRT | | Name: | 3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N-methylpropanamide | | Formula: | C20 H22 Br N3 O | | SMILES: | Brc1ccc(cc1)CNCc1cn(CCC(=O)NC)c2ccccc21 | | InChi: | InChI=1S/C20H22BrN3O/c1-22-20(25)10-11-24-14-16(18-4-2-3-5-19(18)24)13-23-12-15-6-8-17(21)9-7-15/h2-9,14,23H,10-13H2,1H3,(H,22,25) | | Definition date: | 2023-06-08 | | Last modified: | 2024-12-13 | | Release date: | 2024-12-18 | | Identifier: | 3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N-methylpropanamide |
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