 | | TAH | | Name: | 2-(benzyloxy)benzohydrazide | | Formula: | C14 H14 N2 O2 | | SMILES: | NNC(=O)c1ccccc1OCc2ccccc2 | | InChi: | InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17) | | Synonyms: | 2-phenylmethoxybenzohydrazide | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 2-phenylmethoxybenzohydrazide |
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 | | TB5 | | Name: | 4-(4-pyrrol-1-ylphenyl)morpholine | | Formula: | C14 H16 N2 O | | SMILES: | C1CN(CCO1)c2ccc(cc2)n3cccc3 | | InChi: | InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2 | | Synonyms: | 4-[4-(1H-pyrrol-1-yl)phenyl]morpholine | | Definition date: | 2020-12-20 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-(4-pyrrol-1-ylphenyl)morpholine |
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 | | TE5 | | Name: | 4-methoxy-6-phenyl-pyrimidin-2-amine | | Formula: | C11 H11 N3 O | | SMILES: | COc1cc(nc(N)n1)c2ccccc2 | | InChi: | InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14) | | Synonyms: | 4-methoxy-6-phenylpyrimidin-2-ylamine | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-methoxy-6-phenyl-pyrimidin-2-amine |
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 | | TE8 | | Name: | (2~{R})-2-(4-phenylphenoxy)propanoic acid | | Formula: | C15 H14 O3 | | SMILES: | C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O | | InChi: | InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1 | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (2~{R})-2-(4-phenylphenoxy)propanoic acid |
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 | | TEH | | Name: | 4-(2-phenoxyethanoyl)piperazin-2-one | | Formula: | C12 H14 N2 O3 | | SMILES: | O=C1CN(CCN1)C(=O)COc2ccccc2 | | InChi: | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 4-(2-phenoxyethanoyl)piperazin-2-one |
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 | | TEK | | Name: | ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide | | Formula: | C11 H13 N3 O | | SMILES: | CCn1c(NC(C)=O)nc2ccccc12 | | InChi: | InChI=1S/C11H13N3O/c1-3-14-10-7-5-4-6-9(10)13-11(14)12-8(2)15/h4-7H,3H2,1-2H3,(H,12,13,15) | | Definition date: | 2020-12-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-(1-ethylbenzimidazol-2-yl)ethanamide |
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 | | TKE | | Name: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea | | Formula: | C15 H16 I N3 O2 S2 | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(I)cc2)cc1 | | InChi: | InChI=1S/C15H16IN3O2S2/c16-12-3-5-13(6-4-12)19-15(22)18-10-9-11-1-7-14(8-2-11)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22) | | Definition date: | 2021-01-04 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea |
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 | | GIT | | Name: | [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate | | Formula: | C20 H20 N4 O3 | | SMILES: | O=C(C)Cn1nnc(c2ccccc2)c1COC(=O)NCc1ccccc1 | | InChi: | InChI=1S/C20H20N4O3/c1-15(25)13-24-18(19(22-23-24)17-10-6-3-7-11-17)14-27-20(26)21-12-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,21,26) | | Definition date: | 2022-01-01 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate |
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 | | TKQ | | Name: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea | | Formula: | C15 H16 I N3 O3 S | | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=O)Nc2ccc(I)cc2)cc1 | | InChi: | InChI=1S/C15H16IN3O3S/c16-12-3-5-13(6-4-12)19-15(20)18-10-9-11-1-7-14(8-2-11)23(17,21)22/h1-8H,9-10H2,(H2,17,21,22)(H2,18,19,20) | | Definition date: | 2021-01-07 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea |
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 | | U3K | | Name: | ~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine | | Formula: | C14 H17 N O | | SMILES: | CN(Cc1oc(C)cc1)Cc2ccccc2 | | InChi: | InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3 | | Definition date: | 2021-01-19 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | ~{N}-methyl-~{N}-[(5-methylfuran-2-yl)methyl]-1-phenyl-methanamine |
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 | | 9S5 | | Name: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone | | Formula: | C19 H24 N6 O2 | | SMILES: | CC(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 | | InChi: | InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1 | | Definition date: | 2021-10-26 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(1S)-1-(pyrazin-2-yl)ethyl]amino}pyrimidin-5-yl)methanone |
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 | | 9SS | | Name: | (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile | | Formula: | C18 H19 N7 O | | SMILES: | O=C(c1cnc(NC2(CC2)c2cncnc2)nc1)N1CCCC(C#N)C1 | | InChi: | InChI=1S/C18H19N7O/c19-6-13-2-1-5-25(11-13)16(26)14-7-22-17(23-8-14)24-18(3-4-18)15-9-20-12-21-10-15/h7-10,12-13H,1-5,11H2,(H,22,23,24)/t13-/m0/s1 | | Definition date: | 2021-10-26 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (3R)-1-(2-{[1-(pyrimidin-5-yl)cyclopropyl]amino}pyrimidine-5-carbonyl)piperidine-3-carbonitrile |
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 | | 9TC | | Name: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone | | Formula: | C18 H22 N6 O2 | | SMILES: | O=C(N1CCC2(C1)CCOCC2)c1cnc(NCc2cnccn2)nc1 | | InChi: | InChI=1S/C18H22N6O2/c25-16(24-6-1-18(13-24)2-7-26-8-3-18)14-9-21-17(22-10-14)23-12-15-11-19-4-5-20-15/h4-5,9-11H,1-3,6-8,12-13H2,(H,21,22,23) | | Definition date: | 2021-10-26 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (8-oxa-2-azaspiro[4.5]decan-2-yl)(2-{[(pyrazin-2-yl)methyl]amino}pyrimidin-5-yl)methanone |
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 | | GX3 | | Name: | 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one | | Formula: | C26 H30 Cl2 N6 O4 | | SMILES: | CNc1ncc2C=C(C(=O)N(CCCN3CCN(CC3)C(=O)C=C)c2n1)c4c(Cl)c(OC)cc(OC)c4Cl | | InChi: | InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31) | | Synonyms: | PRN1371 | | Definition date: | 2020-09-30 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one |
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 | | 5N0 | | Name: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid | | Formula: | C64 H75 N23 O12 | | SMILES: | O=C(O)c1cccc(c1)C(=O)NCCCN(C)CCCNC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1cc(cn1C)NC(=O)c1nc(NC(=O)C(N)CCNC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C | | InChi: | InChI=1S/C64H75N23O12/c1-79(20-11-16-67-54(88)36-13-10-14-37(23-36)64(98)99)21-12-17-68-56(90)44-24-38(29-81(44)3)70-58(92)46-26-40(31-83(46)5)72-60(94)48-28-41(32-85(48)7)73-62(96)52-75-49(34-86(52)8)77-55(89)43(65)15-18-69-57(91)45-25-39(30-82(45)4)71-59(93)47-27-42(33-84(47)6)74-63(97)53-76-50(35-87(53)9)78-61(95)51-66-19-22-80(51)2/h10,13-14,19,22-35,43H,11-12,15-18,20-21,65H2,1-9H3,(H,67,88)(H,68,90)(H,69,91)(H,70,92)(H,71,93)(H,72,94)(H,73,96)(H,74,97)(H,77,89)(H,78,95)(H,98,99)/t43-/m1/s1 | | Definition date: | 2021-07-21 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid |
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 | | 2JI | | Name: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid | | Formula: | C13 H15 N O2 | | SMILES: | O=C(O)Cc1c2cc(ccc2[NH]c1C)CC | | InChi: | InChI=1S/C13H15NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8(2)14-12/h4-6,14H,3,7H2,1-2H3,(H,15,16) | | Definition date: | 2021-06-30 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid |
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 | | 2LZ | | Name: | (5-fluoro-1H-indol-3-yl)acetic acid | | Formula: | C10 H8 F N O2 | | SMILES: | O=C(O)Cc1c[NH]c2ccc(F)cc21 | | InChi: | InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/h1-2,4-5,12H,3H2,(H,13,14) | | Definition date: | 2021-06-30 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (5-fluoro-1H-indol-3-yl)acetic acid |
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 | | 7VZ | | Name: | methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate | | Formula: | C14 H18 Cl N O4 S2 | | SMILES: | COC(=O)c1cc(c(SC2CCCCC2)cc1Cl)[S](N)(=O)=O | | InChi: | InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)12(8-11(10)15)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19) | | Definition date: | 2021-09-09 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate |
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 | | BVI | | Name: | 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine | | Formula: | C20 H23 N5 O | | SMILES: | Cc1n(ncc1Nc1nc2c(cccc2cn1)C1CC1)C1CCOCC1 | | InChi: | InChI=1S/C20H23N5O/c1-13-18(12-22-25(13)16-7-9-26-10-8-16)23-20-21-11-15-3-2-4-17(14-5-6-14)19(15)24-20/h2-4,11-12,14,16H,5-10H2,1H3,(H,21,23,24) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine |
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 | | BWI | | Name: | 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile | | Formula: | C21 H22 N6 O | | SMILES: | N#CC1(CC1)c1cccc2cnc(nc12)Nc1cnn(C2CCOCC2)c1C | | InChi: | InChI=1S/C21H22N6O/c1-14-18(12-24-27(14)16-5-9-28-10-6-16)25-20-23-11-15-3-2-4-17(19(15)26-20)21(13-22)7-8-21/h2-4,11-12,16H,5-10H2,1H3,(H,23,25,26) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile |
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 | | BXI | | Name: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol | | Formula: | C23 H28 Cl2 N6 O2 | | SMILES: | CC(C)(O)Cn1ncc(Nc2nc3cc(C4CCN(CC4)C4COC4)c(Cl)cc3cn2)c1Cl | | InChi: | InChI=1S/C23H28Cl2N6O2/c1-23(2,32)13-31-21(25)20(10-27-31)29-22-26-9-15-7-18(24)17(8-19(15)28-22)14-3-5-30(6-4-14)16-11-33-12-16/h7-10,14,16,32H,3-6,11-13H2,1-2H3,(H,26,28,29) | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol |
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 | | BYL | | Name: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol | | Formula: | C25 H29 Cl F2 N6 O2 | | SMILES: | OC1COCC1(C)N1CCC(CC1)c1cc2nc(Nc3cnn(C4CC4(F)F)c3C)ncc2cc1Cl | | InChi: | InChI=1S/C25H29ClF2N6O2/c1-14-20(11-30-34(14)21-9-25(21,27)28)32-23-29-10-16-7-18(26)17(8-19(16)31-23)15-3-5-33(6-4-15)24(2)13-36-12-22(24)35/h7-8,10-11,15,21-22,35H,3-6,9,12-13H2,1-2H3,(H,29,31,32)/t21-,22+,24-/m1/s1 | | Definition date: | 2021-11-18 | | Last modified: | 2022-01-07 | | Release date: | 2022-01-12 | | Identifier: | (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol |
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 | | YCY | | Name: | 4-methoxy-~{N}-phenyl-benzenesulfonamide | | Formula: | C13 H13 N O3 S | | SMILES: | COc1ccc(cc1)[S](=O)(=O)Nc2ccccc2 | | InChi: | InChI=1S/C13H13NO3S/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h2-10,14H,1H3 | | Definition date: | 2021-02-22 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 4-methoxy-~{N}-phenyl-benzenesulfonamide |
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 | | C5Y | | Name: | 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine | | Formula: | C18 H28 N5 O8 P | | SMILES: | CCCCCCCC(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C18H28N5O8P/c1-2-3-4-5-6-7-12(24)31-32(27,28)29-8-11-14(25)15(26)18(30-11)23-10-22-13-16(19)20-9-21-17(13)23/h9-11,14-15,18,25-26H,2-8H2,1H3,(H,27,28)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1 | | Definition date: | 2021-11-19 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine |
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 | | 2WI | | Name: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide | | Formula: | C19 H19 F N4 O | | SMILES: | CN(C)C(=O)c1c(N)ccc(c2cnc3N=CC4(CC4)c3c2C)c1F | | InChi: | InChI=1S/C19H19FN4O/c1-10-12(8-22-17-15(10)19(6-7-19)9-23-17)11-4-5-13(21)14(16(11)20)18(25)24(2)3/h4-5,8-9H,6-7,21H2,1-3H3 | | Definition date: | 2021-06-30 | | Last modified: | 2021-12-31 | | Release date: | 2022-01-05 | | Identifier: | 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide |
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