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QF6
QF6
表記:8-methoxyquinolin-4-amine
組成式:C10 H10 N2 O
SMILES:COc1cccc2c(N)ccnc12
InChi:InChI=1S/C10H10N2O/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3,(H2,11,12)
定義日:2022-06-07
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:8-methoxyquinolin-4-amine
QF9
QF9
表記:2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide
組成式:C18 H12 Cl N3 O
SMILES:N#Cc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C18H12ClN3O/c19-15-6-12(5-13(7-15)9-20)8-18(23)22-17-11-21-10-14-3-1-2-4-16(14)17/h1-7,10-11H,8H2,(H,22,23)
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-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide
QFG
QFG
表記:{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C16 H16 N4 O4
SMILES:O=C1C(N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C/c2ccccc2
InChi:InChI=1S/C16H16N4O4/c17-11(6-7-13(18)21)15-19-12(8-10-4-2-1-3-5-10)16(24)20(15)9-14(22)23/h1-5,8,17H,6-7,9H2,(H2,18,21)(H,22,23)/b12-8+,17-11+
別名:CHROMOPHORE (GLN-PHE-GLY)
定義日:2011-10-13
最終更新日:2023-11-03
識別子（ID）:{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
ODX
ODX
表記:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C19 H22 Cl N3 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O)cc(Cl)c1
InChi:InChI=1S/C19H22ClN3O2/c1-12-5-6-21-11-17(12)23-19(25)9-13-7-14(20)10-15(8-13)22-16-3-2-4-18(16)24/h5-8,10-11,16,18,22,24H,2-4,9H2,1H3,(H,23,25)/t16-,18-/m0/s1
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
54C
54C
表記:(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan
組成式:C16 H20 N2 O4
SMILES:C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O
InChi:InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13-,14+/m0/s1
定義日:2015-07-23
最終更新日:2023-11-03
公開日:2015-10-28
識別子（ID）:(betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan
OE6
OE6
表記:N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide
組成式:C14 H11 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nn1nnc2ccccc21
InChi:InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-14(20)17-19-13-7-2-1-6-12(13)16-18-19/h1-8H,9H2,(H,17,20)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide
OEO
OEO
表記:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
組成式:C24 H23 N3 O S
SMILES:O=C(Cc1cncc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C24H23N3OS/c1-26(2)21-7-9-22(10-8-21)27(16-18-11-12-29-17-18)24(28)13-20-15-25-14-19-5-3-4-6-23(19)20/h3-12,14-15,17H,13,16H2,1-2H3
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide
55I
55I
表記:4-(trifluoromethyl)-L-phenylalanine
組成式:C10 H10 F3 N O2
SMILES:FC(F)(F)c1ccc(CC(N)C(=O)O)cc1
InChi:InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
定義日:2021-07-16
最終更新日:2023-11-03
公開日:2021-09-29
識別子（ID）:4-(trifluoromethyl)-L-phenylalanine
OFM
OFM
表記:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
組成式:C24 H24 N4 O6
SMILES:O=C(O)CN2C(=N/C(=Cc1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4
InChi:InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2014-04-30
最終更新日:2023-11-03
公開日:2014-07-08
識別子（ID）:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
562
562
表記:N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine
組成式:C12 H26 N7 O4
SMILES:NC(CCCNC(=N)NCCOCCOCCN=[N+]=N)C(=O)O
InChi:InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1
定義日:2015-07-31
最終更新日:2023-11-03
公開日:2018-03-14
識別子（ID）:N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine
OFX
OFX
表記:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
組成式:C20 H21 N7 O
SMILES:O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C20H21N7O/c1-25(2)16-7-9-17(10-8-16)26(13-15-11-12-21-22-15)20(28)14-27-19-6-4-3-5-18(19)23-24-27/h3-12H,13-14H2,1-2H3,(H,21,22)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide
OG9
OG9
表記:(pyren-1-yl)acetic acid
組成式:C18 H12 O2
SMILES:O=C(O)Cc1ccc2ccc3cccc4ccc1c2c34
InChi:InChI=1S/C18H12O2/c19-16(20)10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)18(13)17(11)12/h1-9H,10H2,(H,19,20)
定義日:2022-04-29
最終更新日:2023-11-03
公開日:2023-05-10
識別子（ID）:(pyren-1-yl)acetic acid
56C
56C
表記:N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine
組成式:C14 H30 N7 O5
SMILES:NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N
InChi:InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1
定義日:2015-08-03
最終更新日:2023-11-03
公開日:2018-03-14
識別子（ID）:N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine
OGC
OGC
表記:gamma-N-methyl-beta-OH-histidine
組成式:C7 H11 N3 O3
SMILES:Cn1cncc1[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C7H11N3O3/c1-10-3-9-2-4(10)6(11)5(8)7(12)13/h2-3,5-6,11H,8H2,1H3,(H,12,13)/t5-,6-/m1/s1
別名:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
定義日:2022-09-07
最終更新日:2023-11-03
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid
OGF
OGF
表記:2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
組成式:C21 H20 N6 O2 S
SMILES:O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(NC(=O)NC)cc1
InChi:InChI=1S/C21H20N6O2S/c1-22-21(29)23-16-6-8-17(9-7-16)26(12-15-10-11-30-14-15)20(28)13-27-19-5-3-2-4-18(19)24-25-27/h2-11,14H,12-13H2,1H3,(H2,22,23,29)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
OGO
OGO
表記:4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
組成式:C20 H18 N2 O4
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CC(Oc2ccccc2OC)C1
InChi:InChI=1S/C20H18N2O4/c1-25-17-8-4-5-9-18(17)26-13-11-22(12-13)20(24)15-10-19(23)21-16-7-3-2-6-14(15)16/h2-10,13H,11-12H2,1H3,(H,21,23)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one
OGU
OGU
表記:2,3-diOH-butyric acid
組成式:C4 H8 O4
SMILES:C[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m0/s1
別名:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
定義日:2022-09-07
最終更新日:2023-11-03
公開日:2023-08-16
識別子（ID）:(2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid
OGV
OGV
表記:2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
組成式:C14 H11 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21
InChi:InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
OGZ
OGZ
表記:[3-(trifluoromethyl)phenyl]methanamine
組成式:C8 H8 F3 N
SMILES:NCc1cccc(c1)C(F)(F)F
InChi:InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
定義日:2020-03-09
最終更新日:2023-11-03
公開日:2021-03-31
識別子（ID）:[3-(trifluoromethyl)phenyl]methanamine
OHC
OHC
表記:2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
組成式:C17 H18 Cl N3 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1
InChi:InChI=1S/C17H18ClN3O2/c1-11-3-4-19-10-16(11)21-17(23)8-13-5-14(7-15(18)6-13)9-20-12(2)22/h3-7,10H,8-9H2,1-2H3,(H,20,22)(H,21,23)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
OHD
OHD
表記:{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
組成式:C14 H14 Cl N3 O4
SMILES:NC(C)C1=N/C(C(N1CC(O)=O)=O)=Cc2ccc(c(c2)Cl)O
InChi:InChI=1S/C14H14ClN3O4/c1-7(16)13-17-10(14(22)18(13)6-12(20)21)5-8-2-3-11(19)9(15)4-8/h2-5,7,19H,6,16H2,1H3,(H,20,21)/b10-5-/t7-/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2019-06-25
最終更新日:2023-11-03
公開日:2019-08-07
識別子（ID）:{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
OI4
OI4
表記:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C16 H15 Cl N2 O2
SMILES:Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OIB
OIB
表記:hydroxylated gamma-amino valeroyl moiety
組成式:C6 H13 N O5
SMILES:CO[CH](CN)[CH](O)[CH](O)C(O)=O
InChi:InChI=1S/C6H13NO5/c1-12-3(2-7)4(8)5(9)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
別名:(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
定義日:2022-09-08
最終更新日:2023-11-03
公開日:2023-08-16
識別子（ID）:(2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid
OIE
OIE
表記:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
組成式:C16 H12 Cl N3 O
SMILES:O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21
InChi:InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
OIK
OIK
表記:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
組成式:C20 H19 N3 O
SMILES:O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone

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