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A1I4H
A1I4H
表記:9-[(3~{R},4~{R})-1-(3-azanylpropanoyl)-4-oxidanyl-pyrrolidin-3-yl]-1,3-dimethyl-purine-2,6-dione
組成式:C14 H20 N6 O4
SMILES:CN1C(=O)N(C)c2n(cnc2C1=O)[CH]3CN(C[CH]3O)C(=O)CCN
InChi:InChI=1S/C14H20N6O4/c1-17-12-11(13(23)18(2)14(17)24)16-7-20(12)8-5-19(6-9(8)21)10(22)3-4-15/h7-9,21H,3-6,15H2,1-2H3/t8-,9-/m1/s1
定義日:2025-02-24
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:9-[(3~{R},4~{R})-1-(3-azanylpropanoyl)-4-oxidanyl-pyrrolidin-3-yl]-1,3-dimethyl-purine-2,6-dione
A1I6V
A1I6V
表記:1-[(6~{R})-3,3-diethanoyl-6-methyl-cyclohexa-1,4-dien-1-yl]ethanone
組成式:C13 H16 O3
SMILES:C[CH]1C=CC(C=C1C(C)=O)(C(C)=O)C(C)=O
InChi:InChI=1S/C13H16O3/c1-8-5-6-13(10(3)15,11(4)16)7-12(8)9(2)14/h5-8H,1-4H3/t8-/m1/s1
定義日:2025-03-18
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:1-[(6~{R})-3,3-diethanoyl-6-methyl-cyclohexa-1,4-dien-1-yl]ethanone
A1BMD
A1BMD
表記:2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
組成式:C23 H27 F3 N4 O2
SMILES:FC(F)(F)c1cccc(c1C)C(C)NC1=NC=2CCNCC=2C(=O)N1C1CC2(C1)COC2
InChi:InChI=1S/C23H27F3N4O2/c1-13-16(4-3-5-18(13)23(24,25)26)14(2)28-21-29-19-6-7-27-10-17(19)20(31)30(21)15-8-22(9-15)11-32-12-22/h3-5,14-15,27H,6-12H2,1-2H3,(H,28,29)/t14-/m1/s1
定義日:2024-12-18
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:2-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-3-(2-oxaspiro[3.3]heptan-6-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
A1BME
A1BME
表記:6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one
組成式:C26 H29 F3 N4 O2
SMILES:FC(F)(F)c1cccc(c1C)C(C)NC1=NC=2CCNCC=2C2=CC(=O)N(C=C12)C1CCOCC1
InChi:InChI=1S/C26H29F3N4O2/c1-15-18(4-3-5-22(15)26(27,28)29)16(2)31-25-21-14-33(17-7-10-35-11-8-17)24(34)12-19(21)20-13-30-9-6-23(20)32-25/h3-5,12,14,16-17,30H,6-11,13H2,1-2H3,(H,31,32)/t16-/m1/s1
定義日:2024-12-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:6-({(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}amino)-8-(oxan-4-yl)-1,3,4,8-tetrahydropyrido[3,4-c][1,6]naphthyridin-9(2H)-one
A1ATA
A1ATA
表記:(3S)-1-[4-(5-carbamimidamidopentanoyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide
組成式:C23 H31 Cl F N7 O3
SMILES:O=C(N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)C1CCCN1C(=N)N
InChi:InChI=1S/C23H31ClFN7O3/c24-17-6-5-16(13-18(17)25)28-20(33)15-3-1-7-31(14-15)23(35)30-11-9-29(10-12-30)21(34)19-4-2-8-32(19)22(26)27/h5-6,13,15,19H,1-4,7-12,14H2,(H3,26,27)(H,28,33)/t15-,19-/m0/s1
定義日:2024-05-28
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide
A1ATE
A1ATE
表記:(3S,5R)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)piperidine-3-carboxamide
組成式:C24 H33 Cl F N7 O4
SMILES:O=C(N1CC(CC(CO)C1)C(=O)Nc1ccc(Cl)c(F)c1)N1CCN(CC1)C(=O)C1CCCN1C(=N)N
InChi:InChI=1S/C24H33ClFN7O4/c25-18-4-3-17(11-19(18)26)29-21(35)16-10-15(14-34)12-32(13-16)24(37)31-8-6-30(7-9-31)22(36)20-2-1-5-33(20)23(27)28/h3-4,11,15-16,20,34H,1-2,5-10,12-14H2,(H3,27,28)(H,29,35)/t15-,16+,20+/m1/s1
定義日:2024-05-28
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S,5R)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)piperidine-3-carboxamide
A1ATZ
A1ATZ
表記:(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid
組成式:C28 H21 Cl N2 O5
SMILES:Clc1ccc(cc1COc1ccccc1C(Nc1cc2NC(=O)Oc2cc1)C(=O)O)c1ccccc1
InChi:InChI=1S/C28H21ClN2O5/c29-22-12-10-18(17-6-2-1-3-7-17)14-19(22)16-35-24-9-5-4-8-21(24)26(27(32)33)30-20-11-13-25-23(15-20)31-28(34)36-25/h1-15,26,30H,16H2,(H,31,34)(H,32,33)/t26-/m0/s1
定義日:2024-05-31
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(2S)-{2-[(4-chloro[1,1'-biphenyl]-3-yl)methoxy]phenyl}[(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)amino]acetic acid
A1B04
A1B04
表記:N-[2-(1,3-oxazol-4-yl)ethyl]benzamide
組成式:C12 H12 N2 O2
SMILES:O=C(NCCc1cocn1)c1ccccc1
InChi:InChI=1S/C12H12N2O2/c15-12(10-4-2-1-3-5-10)13-7-6-11-8-16-9-14-11/h1-5,8-9H,6-7H2,(H,13,15)
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:N-[2-(1,3-oxazol-4-yl)ethyl]benzamide
A1B07
A1B07
表記:N-{2-chloro-4-methyl-6-[(pyrimidin-2-yl)methoxy]phenyl}-2-methoxyacetamide
組成式:C15 H16 Cl N3 O3
SMILES:COCC(=O)Nc1c(OCc2ncccn2)cc(C)cc1Cl
InChi:InChI=1S/C15H16ClN3O3/c1-10-6-11(16)15(19-14(20)9-21-2)12(7-10)22-8-13-17-4-3-5-18-13/h3-7H,8-9H2,1-2H3,(H,19,20)
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:N-{2-chloro-4-methyl-6-[(pyrimidin-2-yl)methoxy]phenyl}-2-methoxyacetamide
A1B08
A1B08
表記:(3S)-N~1~-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
組成式:C16 H22 N4 O3
SMILES:O=C(Nc1cc(ccc1)C(=O)NCC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C16H22N4O3/c1-2-18-15(22)11-5-3-7-13(9-11)19-16(23)20-8-4-6-12(10-20)14(17)21/h3,5,7,9,12H,2,4,6,8,10H2,1H3,(H2,17,21)(H,18,22)(H,19,23)/t12-/m0/s1
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-N~1~-[3-(ethylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
A1B09
A1B09
表記:1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one
組成式:C13 H17 N O3
SMILES:OC1CCN(C1)C(=O)Cc1ccccc1OC
InChi:InChI=1S/C13H17NO3/c1-17-12-5-3-2-4-10(12)8-13(16)14-7-6-11(15)9-14/h2-5,11,15H,6-9H2,1H3
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one
A1B0N
A1B0N
表記:2-(1H-pyrrol-1-yl)pyridin-3-amine
組成式:C9 H9 N3
SMILES:Nc1cccnc1n1cccc1
InChi:InChI=1S/C9H9N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h1-7H,10H2
定義日:2025-03-13
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:2-(1H-pyrrol-1-yl)pyridin-3-amine
A1B0O
A1B0O
表記:(3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one
組成式:C12 H14 F N O2
SMILES:CN1CCC(Oc2cccc(C)c2F)C1=O
InChi:InChI=1S/C12H14FNO2/c1-8-4-3-5-9(11(8)13)16-10-6-7-14(2)12(10)15/h3-5,10H,6-7H2,1-2H3
定義日:2025-03-13
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-3-(2-fluoro-3-methylphenoxy)-1-methylpyrrolidin-2-one
A1B0P
A1B0P
表記:[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone
組成式:C12 H22 N2 O3 S
SMILES:O=S(C)(=O)N1CCCC(C(=O)N2CCCC2)C1C
InChi:InChI=1S/C12H22N2O3S/c1-10-11(12(15)13-7-3-4-8-13)6-5-9-14(10)18(2,16)17/h10-11H,3-9H2,1-2H3/t10-,11-/m1/s1
定義日:2025-03-16
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:[(2R,3R)-1-(methanesulfonyl)-2-methylpiperidin-3-yl](pyrrolidin-1-yl)methanone
A1B1A
A1B1A
表記:(3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
組成式:C15 H21 N3 O2
SMILES:O=C(NCc1cccc(C)c1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C15H21N3O2/c1-11-4-2-5-12(8-11)9-17-15(20)18-7-3-6-13(10-18)14(16)19/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,16,19)(H,17,20)/t13-/m0/s1
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-N~1~-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
A1B1B
A1B1B
表記:(3S)-1-[(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxamide
組成式:C15 H19 Cl N2 O3
SMILES:O=C(Cc1c(OC)cccc1Cl)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C15H19ClN2O3/c1-21-13-6-2-5-12(16)11(13)8-14(19)18-7-3-4-10(9-18)15(17)20/h2,5-6,10H,3-4,7-9H2,1H3,(H2,17,20)/t10-/m0/s1
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxamide
A1B1D
A1B1D
表記:(3S)-1-[(4-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
組成式:C14 H19 N3 O3
SMILES:O=C(Cc1cnccc1OC)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C14H19N3O3/c1-20-12-4-5-16-8-11(12)7-13(18)17-6-2-3-10(9-17)14(15)19/h4-5,8,10H,2-3,6-7,9H2,1H3,(H2,15,19)/t10-/m0/s1
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(4-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide
A1B1E
A1B1E
表記:(3S)-1-[(2S)-2-methoxy-2-(pyridin-3-yl)acetyl]piperidine-3-carboxamide
組成式:C14 H19 N3 O3
SMILES:O=C(C(OC)c1cccnc1)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C14H19N3O3/c1-20-12(10-4-2-6-16-8-10)14(19)17-7-3-5-11(9-17)13(15)18/h2,4,6,8,11-12H,3,5,7,9H2,1H3,(H2,15,18)/t11-,12-/m0/s1
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(2S)-2-methoxy-2-(pyridin-3-yl)acetyl]piperidine-3-carboxamide
A1B1M
A1B1M
表記:(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
組成式:C15 H20 N2 O4
SMILES:OC(CN1CC(CCC1=O)C(N)=O)c1ccccc1OC
InChi:InChI=1S/C15H20N2O4/c1-21-13-5-3-2-4-11(13)12(18)9-17-8-10(15(16)20)6-7-14(17)19/h2-5,10,12,18H,6-9H2,1H3,(H2,16,20)/t10-,12-/m0/s1
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
A1B1N
A1B1N
表記:(3S)-N~1~-(2-methoxypyridin-3-yl)pyrrolidine-1,3-dicarboxamide
組成式:C12 H16 N4 O3
SMILES:O=C(N)C1CCN(C1)C(=O)Nc1cccnc1OC
InChi:InChI=1S/C12H16N4O3/c1-19-11-9(3-2-5-14-11)15-12(18)16-6-4-8(7-16)10(13)17/h2-3,5,8H,4,6-7H2,1H3,(H2,13,17)(H,15,18)/t8-/m0/s1
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-N~1~-(2-methoxypyridin-3-yl)pyrrolidine-1,3-dicarboxamide
A1B1O
A1B1O
表記:(1R)-1-(1-methyl-1H-indazol-3-yl)-N-[2-(1,3-oxazol-4-yl)ethyl]prop-2-yn-1-amine
組成式:C16 H16 N4 O
SMILES:Cn1nc(C(NCCc2cocn2)C#C)c2ccccc21
InChi:InChI=1S/C16H16N4O/c1-3-14(17-9-8-12-10-21-11-18-12)16-13-6-4-5-7-15(13)20(2)19-16/h1,4-7,10-11,14,17H,8-9H2,2H3
定義日:2025-03-19
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(1R)-1-(1-methyl-1H-indazol-3-yl)-N-[2-(1,3-oxazol-4-yl)ethyl]prop-2-yn-1-amine
A1B1Y
A1B1Y
表記:(3S)-1-[1-(1H-pyrazol-1-yl)cyclopentane-1-carbonyl]piperidine-3-carboxamide
組成式:C15 H22 N4 O2
SMILES:NC(=O)C1CCCN(C1)C(=O)C1(CCCC1)n1cccn1
InChi:InChI=1S/C15H22N4O2/c16-13(20)12-5-3-9-18(11-12)14(21)15(6-1-2-7-15)19-10-4-8-17-19/h4,8,10,12H,1-3,5-7,9,11H2,(H2,16,20)/t12-/m0/s1
定義日:2025-03-21
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[1-(1H-pyrazol-1-yl)cyclopentane-1-carbonyl]piperidine-3-carboxamide
A1B1Z
A1B1Z
表記:(3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide
組成式:C12 H16 N4 O2 S
SMILES:NC(=O)C1CCCN(C1)C(=O)C1CCc2snnc21
InChi:InChI=1S/C12H16N4O2S/c13-11(17)7-2-1-5-16(6-7)12(18)8-3-4-9-10(8)14-15-19-9/h7-8H,1-6H2,(H2,13,17)/t7-,8+/m0/s1
定義日:2025-03-21
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(4R)-5,6-dihydro-4H-cyclopenta[d][1,2,3]thiadiazole-4-carbonyl]piperidine-3-carboxamide
A1B29
A1B29
表記:(3S)-1-[(4R)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide
組成式:C16 H20 N2 O2 S
SMILES:NC(=O)C1CCCN(C1)C(=O)C1CCSc2ccccc21
InChi:InChI=1S/C16H20N2O2S/c17-15(19)11-4-3-8-18(10-11)16(20)13-7-9-21-14-6-2-1-5-12(13)14/h1-2,5-6,11,13H,3-4,7-10H2,(H2,17,19)/t11-,13+/m0/s1
定義日:2025-03-21
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(4R)-3,4-dihydro-2H-1-benzothiopyran-4-carbonyl]piperidine-3-carboxamide
A1B2A
A1B2A
表記:(3S)-1-[(2R)-1-methyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name)
組成式:C16 H21 N3 O2
SMILES:O=C(C1Cc2ccccc2N1C)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C16H21N3O2/c1-18-13-7-3-2-5-11(13)9-14(18)16(21)19-8-4-6-12(10-19)15(17)20/h2-3,5,7,12,14H,4,6,8-10H2,1H3,(H2,17,20)/t12-,14+/m0/s1
定義日:2025-03-21
最終更新日:2025-03-28
公開日:2025-04-02
識別子（ID）:(3S)-1-[(2R)-1-methyl-2,3-dihydro-1H-indole-2-carbonyl]piperidine-3-carboxamide (non-preferred name)

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件を2025-07-09に公開中

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