 | | AJO | | Name: | 2-[cyanomethyl(methyl)amino]-N-(6-methylpyridin-2-yl)ethanamide | | Formula: | C11 H14 N4 O | | SMILES: | CN(CC#N)CC(=O)Nc1cccc(C)n1 | | InChi: | InChI=1S/C11H14N4O/c1-9-4-3-5-10(13-9)14-11(16)8-15(2)7-6-12/h3-5H,7-8H2,1-2H3,(H,13,14,16) | | Definition date: | 2021-11-09 | | Last modified: | 2024-06-26 | | Release date: | 2024-06-19 | | Identifier: | 2-[cyanomethyl(methyl)amino]-~{N}-(6-methylpyridin-2-yl)ethanamide |
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 | | 01W | | Name: | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | | Formula: | C10 H12 N4 O6 | | SMILES: | [O-][N+](=O)c1ccc(NCCC(C([O-])=O)[NH3+])c(c1)[N+]([O-])=O | | InChi: | InChI=1S/C10H12N4O6/c11-7(10(15)16)3-4-12-8-2-1-6(13(17)18)5-9(8)14(19)20/h1-2,5,7,12H,3-4,11H2,(H,15,16)/t7-/m0/s1 | | Definition date: | 2008-07-21 | | Last modified: | 2024-06-26 | | Identifier: | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate |
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 | | UEO | | Name: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one | | Formula: | C19 H24 N6 O2 | | SMILES: | CCC(=O)N1CCCC(CC1)Oc1nc(cn2nccc12)c1cn(C)nc1 | | InChi: | InChI=1S/C19H24N6O2/c1-3-18(26)24-9-4-5-15(7-10-24)27-19-17-6-8-20-25(17)13-16(22-19)14-11-21-23(2)12-14/h6,8,11-13,15H,3-5,7,9-10H2,1-2H3/t15-/m1/s1 | | Definition date: | 2023-09-04 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one |
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 | | Y0Z | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | | Formula: | C43 H48 N10 O17 P2 | | SMILES: | O=C(Nc1ccccc1)c1cccc(c1)CCC(=O)N1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C=2NC(=O)NC(=O)C1=2 | | InChi: | InChI=1S/C43H48N10O17P2/c1-21-13-26-27(14-22(21)2)53(31(56)12-11-23-7-6-8-24(15-23)40(60)48-25-9-4-3-5-10-25)33-39(49-43(62)50-41(33)61)51(26)16-28(54)34(57)29(55)17-67-71(63,64)70-72(65,66)68-18-30-35(58)36(59)42(69-30)52-20-47-32-37(44)45-19-46-38(32)52/h3-10,13-15,19-20,28-30,34-36,42,54-55,57-59H,11-12,16-18H2,1-2H3,(H,48,60)(H,63,64)(H,65,66)(H2,44,45,46)(H2,49,50,61,62)/t28-,29+,30+,34-,35+,36+,42+/m0/s1 | | Definition date: | 2022-12-21 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | XLZ | | Name: | 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C24 H26 Cl N5 O4 S | | SMILES: | C[CH](n1cc(CCCN)nn1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4 | | InChi: | InChI=1S/C24H26ClN5O4S/c1-14(30-12-17(28-29-30)5-4-10-26)18-6-3-7-19-21(23(24(31)32)27-22(18)19)15-8-9-16(20(25)11-15)13-35(2,33)34/h3,6-9,11-12,14,27H,4-5,10,13,26H2,1-2H3,(H,31,32)/t14-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-[(1~{S})-1-[4-(3-azanylpropyl)-1,2,3-triazol-1-yl]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | XM8 | | Name: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C27 H27 Cl N2 O5 S | | SMILES: | C[CH](OCc1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4 | | InChi: | InChI=1S/C27H27ClN2O5S/c1-16(35-14-18-8-6-17(13-29)7-9-18)21-4-3-5-22-24(26(27(31)32)30-25(21)22)19-10-11-20(23(28)12-19)15-36(2,33)34/h3-12,16,30H,13-15,29H2,1-2H3,(H,31,32)/t16-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | WP9 | | Name: | ~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate | | Formula: | C21 H33 N4 O9 P S | | SMILES: | CC(C)(CO[P](O)(=O)OC[CH](N)C=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N | | InChi: | InChI=1S/C21H33N4O9PS/c1-21(2,13-34-35(31,32)33-12-14(22)11-26)18(28)19(29)25-8-7-17(27)24-9-10-36-20(30)15-5-3-4-6-16(15)23/h3-6,11,14,18,28H,7-10,12-13,22-23H2,1-2H3,(H,24,27)(H,25,29)(H,31,32)/t14-,18+/m1/s1 | | Definition date: | 2023-10-10 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate |
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 | | XMN | | Name: | 3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | | Formula: | C22 H24 F N3 O4 | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(CNC(=O)[CH](N)CO)c(F)c3 | | InChi: | InChI=1S/C22H24FN3O4/c1-11(2)14-4-3-5-15-18(20(22(29)30)26-19(14)15)12-6-7-13(16(23)8-12)9-25-21(28)17(24)10-27/h3-8,11,17,26-27H,9-10,24H2,1-2H3,(H,25,28)(H,29,30)/t17-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 3-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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 | | XMU | | Name: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid | | Formula: | C29 H31 N5 O4 | | SMILES: | C[CH](NC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(CN5CCOCC5)nc4 | | InChi: | InChI=1S/C29H31N5O4/c1-18(32-28(35)20-7-5-19(15-30)6-8-20)23-3-2-4-24-25(27(29(36)37)33-26(23)24)21-9-10-22(31-16-21)17-34-11-13-38-14-12-34/h2-10,16,18,33H,11-15,17,30H2,1H3,(H,32,35)(H,36,37)/t18-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid |
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 | | XMZ | | Name: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | | Formula: | C20 H22 N2 O3 | | SMILES: | CCOc1cncc(C)c1c2c([nH]c3c(cccc23)C(C)C)C(O)=O | | InChi: | InChI=1S/C20H22N2O3/c1-5-25-15-10-21-9-12(4)16(15)17-14-8-6-7-13(11(2)3)18(14)22-19(17)20(23)24/h6-11,22H,5H2,1-4H3,(H,23,24) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 3-(3-ethoxy-5-methyl-pyridin-4-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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 | | XN6 | | Name: | 3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | | Formula: | C20 H21 F N4 O2 | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(CNC(N)=N)c(F)c3 | | InChi: | InChI=1S/C20H21FN4O2/c1-10(2)13-4-3-5-14-16(18(19(26)27)25-17(13)14)11-6-7-12(15(21)8-11)9-24-20(22)23/h3-8,10,25H,9H2,1-2H3,(H,26,27)(H4,22,23,24) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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 | | XNE | | Name: | 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid | | Formula: | C29 H30 N4 O5 | | SMILES: | C[CH](OC(=O)c1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(CN5CCOCC5)nc4 | | InChi: | InChI=1S/C29H30N4O5/c1-18(38-29(36)20-7-5-19(15-30)6-8-20)23-3-2-4-24-25(27(28(34)35)32-26(23)24)21-9-10-22(31-16-21)17-33-11-13-37-14-12-33/h2-10,16,18,32H,11-15,17,30H2,1H3,(H,34,35)/t18-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-[(1~{S})-1-[4-(aminomethyl)phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid |
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 | | X6U | | Name: | 3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | | Formula: | C21 H20 N2 O4 S | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(=O)=O)c(c3)C#N | | InChi: | InChI=1S/C21H20N2O4S/c1-12(2)16-5-4-6-17-18(20(21(24)25)23-19(16)17)13-7-8-14(11-28(3,26)27)15(9-13)10-22/h4-9,12,23H,11H2,1-3H3,(H,24,25) | | Definition date: | 2023-06-05 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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 | | YMN | | Name: | 1-[(3-iodanylphenyl)methyl]guanidine | | Formula: | C8 H10 I N3 | | SMILES: | NC(=N)NCc1cccc(I)c1 | | InChi: | InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12) | | Definition date: | 2023-12-06 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 1-[(3-iodanylphenyl)methyl]guanidine |
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 | | XNT | | Name: | 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C27 H27 Cl N2 O5 S | | SMILES: | C[CH](Oc1ccc(CCN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4 | | InChi: | InChI=1S/C27H27ClN2O5S/c1-16(35-20-10-6-17(7-11-20)12-13-29)21-4-3-5-22-24(26(27(31)32)30-25(21)22)18-8-9-19(23(28)14-18)15-36(2,33)34/h3-11,14,16,30H,12-13,15,29H2,1-2H3,(H,31,32)/t16-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | YMW | | Name: | 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one | | Formula: | C17 H13 Cl N4 O | | SMILES: | CCn1cc2c3ccc(Cl)cc3N(C(=O)c2n1)c4cccnc4 | | InChi: | InChI=1S/C17H13ClN4O/c1-2-21-10-14-13-6-5-11(18)8-15(13)22(17(23)16(14)20-21)12-4-3-7-19-9-12/h3-10H,2H2,1H3 | | Definition date: | 2023-12-06 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one |
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 | | ZRF | | Name: | 2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C8 H11 N3 O4 | | SMILES: | C[CH](N)C1=NC(=CO)C(=O)N1CC(O)=O | | InChi: | InChI=1S/C8H11N3O4/c1-4(9)7-10-5(3-12)8(15)11(7)2-6(13)14/h3-4,12H,2,9H2,1H3,(H,13,14)/b5-3+/t4-/m0/s1 | | Synonyms: | 2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid |
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 | | XO0 | | Name: | 7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid | | Formula: | C37 H32 N4 O7 | | SMILES: | C[CH](OC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)c4cccc5c4[nH]c(C(O)=O)c5c6ccc(CN7CCOCC7)nc6 | | InChi: | InChI=1S/C37H32N4O7/c1-22(48-37(46)24-11-9-23(10-12-24)20-41-34(42)28-5-2-3-6-29(28)35(41)43)27-7-4-8-30-31(33(36(44)45)39-32(27)30)25-13-14-26(38-19-25)21-40-15-17-47-18-16-40/h2-14,19,22,39H,15-18,20-21H2,1H3,(H,44,45)/t22-/m0/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid |
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 | | X78 | | Name: | 3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | | Formula: | C21 H19 N3 O3 S | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3cccc4nc(NC(C)=O)sc34 | | InChi: | InChI=1S/C21H19N3O3S/c1-10(2)12-6-4-7-13-16(18(20(26)27)24-17(12)13)14-8-5-9-15-19(14)28-21(23-15)22-11(3)25/h4-10,24H,1-3H3,(H,26,27)(H,22,23,25) | | Definition date: | 2023-06-05 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 3-(2-acetamido-1,3-benzothiazol-7-yl)-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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 | | ZRH | | Name: | (2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one | | Formula: | C17 H16 F N3 O2 | | SMILES: | CC(COc1ccccc1)C(=O)n1nc(N)c2ccc(F)cc21 | | InChi: | InChI=1S/C17H16FN3O2/c1-11(10-23-13-5-3-2-4-6-13)17(22)21-15-9-12(18)7-8-14(15)16(19)20-21/h2-9,11H,10H2,1H3,(H2,19,20)/t11-/m0/s1 | | Definition date: | 2023-03-24 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | (2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one |
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 | | YN8 | | Name: | 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one | | Formula: | C19 H14 Cl F N4 O | | SMILES: | Cn1cc2c3cc(F)c(Cl)cc3N(C(=O)c2n1)c4cccnc4C5CC5 | | InChi: | InChI=1S/C19H14ClFN4O/c1-24-9-12-11-7-14(21)13(20)8-16(11)25(19(26)18(12)23-24)15-3-2-6-22-17(15)10-4-5-10/h2-3,6-10H,4-5H2,1H3 | | Definition date: | 2023-12-06 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one |
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 | | XOH | | Name: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide | | Formula: | C26 H28 F2 N8 O5 | | SMILES: | Cc1nonc1CNC(=O)c2c[nH]c3nccc(Oc4c(F)cc(NC(=O)NCCCN5CCOCC5)cc4F)c23 | | InChi: | InChI=1S/C26H28F2N8O5/c1-15-20(35-41-34-15)14-32-25(37)17-13-31-24-22(17)21(3-5-29-24)40-23-18(27)11-16(12-19(23)28)33-26(38)30-4-2-6-36-7-9-39-10-8-36/h3,5,11-13H,2,4,6-10,14H2,1H3,(H,29,31)(H,32,37)(H2,30,33,38) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide |
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 | | VDC | | Name: | N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | Formula: | C24 H26 F N5 O4 | | SMILES: | FC1CC1N1C=CC=C(NC(=O)c2cc3cn(nc3nc2OC(C)C)C23CC(C)(C2)OC3)C1=O | | InChi: | InChI=1S/C24H26FN5O4/c1-13(2)34-21-15(20(31)26-17-5-4-6-29(22(17)32)18-8-16(18)25)7-14-9-30(28-19(14)27-21)24-10-23(3,11-24)33-12-24/h4-7,9,13,16,18H,8,10-12H2,1-3H3,(H,26,31)/t16-,18+,23-,24-/m0/s1 | | Definition date: | 2023-09-11 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide |
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 | | XON | | Name: | ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | | Formula: | C25 H23 F5 N4 O3 | | SMILES: | Fc1cc(NC2=NCC3(CCOCC3)CO2)cc(F)c1Oc4ccnc5[nH]cc(c45)C6(CC6)C(F)(F)F | | InChi: | InChI=1S/C25H23F5N4O3/c26-16-9-14(34-22-33-12-23(13-36-22)4-7-35-8-5-23)10-17(27)20(16)37-18-1-6-31-21-19(18)15(11-32-21)24(2-3-24)25(28,29)30/h1,6,9-11H,2-5,7-8,12-13H2,(H,31,32)(H,33,34) | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine |
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 | | XOR | | Name: | [(5~{R})-2-[[3,5-bis(fluoranyl)-4-[[3-(trifluoromethyl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]amino]-5-fluoranyl-4,6-dihydro-1,3-oxazin-5-yl]methanol | | Formula: | C19 H14 F6 N4 O3 | | SMILES: | OC[C]1(F)COC(=NC1)Nc2cc(F)c(Oc3ccnc4[nH]cc(c34)C(F)(F)F)c(F)c2 | | InChi: | InChI=1S/C19H14F6N4O3/c20-11-3-9(29-17-28-6-18(22,7-30)8-31-17)4-12(21)15(11)32-13-1-2-26-16-14(13)10(5-27-16)19(23,24)25/h1-5,30H,6-8H2,(H,26,27)(H,28,29)/t18-/m1/s1 | | Definition date: | 2023-06-08 | | Last modified: | 2024-06-21 | | Release date: | 2024-06-26 | | Identifier: | [(5~{R})-2-[[3,5-bis(fluoranyl)-4-[[3-(trifluoromethyl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]amino]-5-fluoranyl-4,6-dihydro-1,3-oxazin-5-yl]methanol |
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