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OVX
OVX
表記:1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
組成式:C20 H16 Cl N3 O2
SMILES:O=C(c1cncc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H16ClN3O2/c21-15-5-3-6-16(10-15)24-9-8-23(13-19(24)25)20(26)18-12-22-11-14-4-1-2-7-17(14)18/h1-7,10-12H,8-9,13H2
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
BBS
BBS
表記:4-TERT-BUTYLBENZENESULFONIC ACID
組成式:C10 H14 O3 S
SMILES:O=S(=O)(O)c1ccc(cc1)C(C)(C)C
InChi:InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
定義日:2000-03-31
最終更新日:2023-11-03
識別子（ID）:4-tert-butylbenzenesulfonic acid
OWC
OWC
表記:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
組成式:C20 H17 Cl N2 O
SMILES:Clc1cccc(c1)C1CCCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C20H17ClN2O/c21-16-7-3-6-14(11-16)18-9-4-10-23(20(18)24)19-13-22-12-15-5-1-2-8-17(15)19/h1-3,5-8,11-13,18H,4,9-10H2/t18-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
OWX
OWX
表記:2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide
組成式:C16 H16 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2NCCCc12
InChi:InChI=1S/C16H16ClN3O/c17-12-4-1-3-11(7-12)8-16(21)20-15-10-18-9-14-13(15)5-2-6-19-14/h1,3-4,7,9-10,19H,2,5-6,8H2,(H,20,21)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide
BCS
BCS
表記:BENZYLCYSTEINE
組成式:C10 H13 N O2 S
SMILES:O=C(O)C(N)CSCc1ccccc1
InChi:InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:S-benzyl-L-cysteine
OXJ
OXJ
表記:1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
組成式:C10 H9 F6 N
SMILES:CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C10H9F6N/c1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4,17H,5H2,1H3
定義日:2019-07-15
最終更新日:2023-11-03
公開日:2019-12-11
識別子（ID）:1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine
OYF
OYF
表記:(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C18 H14 Cl N3 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cnccc21
InChi:InChI=1S/C18H14ClN3O2/c19-12-1-2-17-15(7-12)14(4-6-24-17)18(23)22-16-10-21-9-11-8-20-5-3-13(11)16/h1-3,5,7-10,14H,4,6H2,(H,22,23)/t14-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OYX
OYX
表記:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
組成式:C24 H28 N2 O S
SMILES:O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1
InChi:InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
OZC
OZC
表記:(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
組成式:C20 H17 Cl N2 O
SMILES:Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C20H17ClN2O/c21-16-9-7-14(8-10-16)18-6-3-11-23(20(18)24)19-13-22-12-15-4-1-2-5-17(15)19/h1-2,4-5,7-10,12-13,18H,3,6,11H2/t18-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
BF6
BF6
表記:[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C20 H17 N3 O4
SMILES:C(=C1N=C(CN)N(CC(O)=O)C1=O)c3ccc(C(c2ccccc2)=O)cc3
InChi:InChI=1S/C20H17N3O4/c21-11-17-22-16(20(27)23(17)12-18(24)25)10-13-6-8-15(9-7-13)19(26)14-4-2-1-3-5-14/h1-10H,11-12,21H2,(H,24,25)/b16-10-
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2018-12-20
最終更新日:2023-11-03
公開日:2019-01-30
識別子（ID）:[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
OZW
OZW
表記:phenylhydrazinyl phenylalanine
組成式:C15 H17 N3 O2
SMILES:N[CH](Cc1ccc(NNc2ccccc2)cc1)C(O)=O
InChi:InChI=1S/C15H17N3O2/c16-14(15(19)20)10-11-6-8-13(9-7-11)18-17-12-4-2-1-3-5-12/h1-9,14,17-18H,10,16H2,(H,19,20)/t14-/m0/s1
定義日:2020-04-13
最終更新日:2023-11-03
公開日:2020-07-22
識別子（ID）:(2~{S})-2-azanyl-3-[4-(2-phenylhydrazinyl)phenyl]propanoic acid
BF9
BF9
表記:[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C22 H21 N3 O5
SMILES:c1ccccc1C(c3ccc(C=C2C(N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O
InChi:InChI=1S/C22H21N3O5/c1-13(26)19(23)21-24-17(22(30)25(21)12-18(27)28)11-14-7-9-16(10-8-14)20(29)15-5-3-2-4-6-15/h2-11,13,19,26H,12,23H2,1H3,(H,27,28)/b17-11-/t13-,19-/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2018-12-19
最終更新日:2023-11-03
公開日:2019-01-30
識別子（ID）:[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
OZX
OZX
表記:2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
組成式:C16 H12 Cl N3 O
SMILES:Clc1cccc(CC(=O)Nc2cncc3ccccc32)n1
InChi:InChI=1S/C16H12ClN3O/c17-15-7-3-5-12(19-15)8-16(21)20-14-10-18-9-11-4-1-2-6-13(11)14/h1-7,9-10H,8H2,(H,20,21)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
P0X
P0X
表記:4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
組成式:C20 H16 Cl N3 O3
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H16ClN3O3/c21-13-4-3-5-14(10-13)24-9-8-23(12-19(24)26)20(27)16-11-18(25)22-17-7-2-1-6-15(16)17/h1-7,10-11H,8-9,12H2,(H,22,25)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one
P1V
P1V
表記:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
組成式:C9 H16 N4 O2
SMILES:Cc1[nH]nc(CCCC[CH](N)C(O)=O)n1
InChi:InChI=1S/C9H16N4O2/c1-6-11-8(13-12-6)5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,14,15)(H,11,12,13)/t7-/m0/s1
定義日:2022-09-29
最終更新日:2023-11-03
公開日:2023-01-11
識別子（ID）:(2~{S})-2-azanyl-6-(5-methyl-1~{H}-1,2,4-triazol-3-yl)hexanoic acid
4PQ
4PQ
表記:5-hydroxy-L-tryptophan
組成式:C11 H12 N2 O3
SMILES:NC(C(=O)O)Cc1cnc2ccc(cc12)O
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
別名:Oxitriptan
定義日:2015-05-01
最終更新日:2023-11-03
公開日:2017-01-11
識別子（ID）:5-hydroxy-L-tryptophan
P2Q
P2Q
表記:2-hydroxy-5-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1yl]amino}-L-tyrosine
組成式:C20 H22 N2 O6
SMILES:N[CH](Cc1cc(N[CH](C=O)C=CCOc2ccccc2)c(O)cc1O)C(O)=O
InChi:InChI=1S/C20H22N2O6/c21-16(20(26)27)9-13-10-17(19(25)11-18(13)24)22-14(12-23)5-4-8-28-15-6-2-1-3-7-15/h1-7,10-12,14,16,22,24-25H,8-9,21H2,(H,26,27)/b5-4+/t14-,16-/m0/s1
別名:3-{[(1S,2E)-1-formyl-4-phenoxybut-2-en-1-yl]amino}-6-hydroxy-L-tyrosine
定義日:2009-11-10
最終更新日:2023-11-03
識別子（ID）:(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E,2S)-1-oxo-5-phenoxy-pent-3-en-2-yl]amino]phenyl]propanoic acid
4QK
4QK
表記:6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine
組成式:C10 H19 N5 O2
SMILES:NC(CCCCn1cc(CCN)nn1)C(O)=O
InChi:InChI=1S/C10H19N5O2/c11-5-4-8-7-15(14-13-8)6-2-1-3-9(12)10(16)17/h7,9H,1-6,11-12H2,(H,16,17)/t9-/m0/s1
定義日:2016-07-19
最終更新日:2023-11-03
公開日:2016-09-21
識別子（ID）:6-[4-(2-aminoethyl)-1H-1,2,3-triazol-1-yl]-L-norleucine
P3L
P3L
表記:(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C15 H17 Cl N2 O3
SMILES:O=C1CC(CCN1)NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C15H17ClN2O3/c16-9-1-2-13-12(7-9)11(4-6-21-13)15(20)18-10-3-5-17-14(19)8-10/h1-2,7,10-11H,3-6,8H2,(H,17,19)(H,18,20)/t10-,11-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
P3Q
P3Q
表記:2-hydroxy-5-{[(1E)-1-(2-oxoethylidene)-4-phenylbutyl]amino}-L-tyrosine
組成式:C21 H24 N2 O5
SMILES:N[CH](Cc1cc(NC(CCCc2ccccc2)=CC=O)c(O)cc1O)C(O)=O
InChi:InChI=1S/C21H24N2O5/c22-17(21(27)28)11-15-12-18(20(26)13-19(15)25)23-16(9-10-24)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,17,23,25-26H,4,7-8,11,22H2,(H,27,28)/b16-9+/t17-/m0/s1
定義日:2009-11-19
最終更新日:2023-11-03
識別子（ID）:(2S)-2-azanyl-3-[2,4-dihydroxy-5-[[(E)-1-oxo-6-phenyl-hex-2-en-3-yl]amino]phenyl]propanoic acid
P4E
P4E
表記:(2S,4E)-2-amino-5-phenylpent-4-enoic acid
組成式:C11 H13 N O2
SMILES:O=C(O)C(N)C/C=C/c1ccccc1
InChi:InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1
定義日:2011-10-13
最終更新日:2023-11-03
識別子（ID）:(2S,4E)-2-amino-5-phenylpent-4-enoic acid
P4R
P4R
表記:(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
組成式:C20 H14 Cl N3 O3
SMILES:Clc1ccc2OCCC3(NC(=O)N(C3=O)c3cncc4ccccc43)c2c1
InChi:InChI=1S/C20H14ClN3O3/c21-13-5-6-17-15(9-13)20(7-8-27-17)18(25)24(19(26)23-20)16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8H2,(H,23,26)/t20-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
P6O
P6O
表記:(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
組成式:C19 H14 Cl N3 O3
SMILES:Clc1ccc2NC(=O)CC(O)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14ClN3O3/c20-12-5-6-15-14(7-12)19(26,8-17(24)22-15)18(25)23-16-10-21-9-11-3-1-2-4-13(11)16/h1-7,9-10,26H,8H2,(H,22,24)(H,23,25)/t19-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
P7R
P7R
表記:(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C17 H15 Cl N4 O3
SMILES:CN1c2c(NC1=O)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C17H15ClN4O3/c1-22-15-12(7-19-8-13(15)21-17(22)24)20-16(23)10-4-5-25-14-3-2-9(18)6-11(10)14/h2-3,6-8,10H,4-5H2,1H3,(H,20,23)(H,21,24)/t10-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
P9O
P9O
表記:(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C18 H18 Cl N3 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2CCNCc21
InChi:InChI=1S/C18H18ClN3O2/c19-12-1-2-17-14(7-12)13(4-6-24-17)18(23)22-16-10-21-8-11-3-5-20-9-15(11)16/h1-2,7-8,10,13,20H,3-6,9H2,(H,22,23)/t13-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

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