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NQ3
NQ3
表記:(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one
組成式:C15 H12 Cl N3 O
SMILES:Clc1cccc(c1)N1C=CN(c2cnccc2C)C1=O
InChi:InChI=1S/C15H12ClN3O/c1-11-5-6-17-10-14(11)19-8-7-18(15(19)20)13-4-2-3-12(16)9-13/h2-10H,1H3
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one
RG9
RG9
表記:2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide
組成式:C20 H19 Cl N2 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(C)(C)O
InChi:InChI=1S/C20H19ClN2O2/c1-20(2,25)15-6-7-17-14(10-15)11-22-12-18(17)23-19(24)9-13-4-3-5-16(21)8-13/h3-8,10-12,25H,9H2,1-2H3,(H,23,24)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide
R2L
R2L
表記:(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C17 H18 Cl N3 O2
SMILES:Cc1c(NC)cncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C17H18ClN3O2/c1-10-14(19-2)8-20-9-15(10)21-17(22)12-5-6-23-16-4-3-11(18)7-13(12)16/h3-4,7-9,12,19H,5-6H2,1-2H3,(H,21,22)/t12-/m1/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OMX
OMX
表記:(betaR)-beta-hydroxy-L-Tyrosine
組成式:C9 H11 N O4
SMILES:O=C(O)C(N)C(O)c1ccc(O)cc1
InChi:InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1
定義日:2010-08-10
最終更新日:2023-11-03
識別子（ID）:(betaR)-beta-hydroxy-L-tyrosine
OMY
OMY
表記:(betaR)-3-chloro-beta-hydroxy-L-tyrosine
組成式:C9 H10 Cl N O4
SMILES:Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m0/s1
定義日:2009-03-27
最終更新日:2023-11-03
識別子（ID）:(betaR)-3-chloro-beta-hydroxy-L-tyrosine
OMZ
OMZ
表記:(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
組成式:C9 H10 Cl N O4
SMILES:Clc1cc(ccc1O)C(O)C(C(=O)O)N
InChi:InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1
定義日:2010-08-06
最終更新日:2023-11-03
識別子（ID）:(betaR)-3-chloro-beta-hydroxy-D-tyrosine
QNU
QNU
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C19 H16 Cl N3 O
SMILES:Clc1ccc2CNCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O/c20-14-6-5-13-9-21-10-17(16(13)7-14)19(24)23-18-11-22-8-12-3-1-2-4-15(12)18/h1-8,11,17,21H,9-10H2,(H,23,24)/t17-/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）:(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
VYA
VYA
表記:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
組成式:C17 H21 N3 O4
SMILES:CC(C)C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
InChi:InChI=1S/C17H21N3O4/c1-10(2)7-13(18)16-19-14(17(24)20(16)9-15(22)23)8-11-3-5-12(21)6-4-11/h3-6,8,10,13,21H,7,9,18H2,1-2H3,(H,22,23)/b14-8-/t13-/m0/s1
別名:PEPTIDE DERIVED CHROMOPHORE
定義日:2017-08-09
最終更新日:2023-11-03
公開日:2017-12-06
識別子（ID）:2-[(4~{Z})-2-[(1~{S})-1-azanyl-3-methyl-butyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
OKW
OKW
表記:2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide
組成式:C16 H15 Cl N2 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2CCCc21
InChi:InChI=1S/C16H15ClN2O/c17-13-5-1-3-11(7-13)8-16(20)19-15-10-18-9-12-4-2-6-14(12)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,19,20)
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-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide
MY1
MY1
表記:[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
組成式:C20 H23 N3 O5
SMILES:O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
定義日:2006-01-27
最終更新日:2023-11-03
識別子（ID）:{1-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]hydrazino}acetic acid
R2X
R2X
表記:(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)
組成式:C27 H27 Cl N4 O4
SMILES:O=C(NC(c1cccc(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCC(O1)C(=O)N1CCCC1
InChi:InChI=1S/C27H27ClN4O4/c28-19-8-5-7-17(14-19)24(26(34)30-21-16-29-15-18-6-1-2-9-20(18)21)31-25(33)22-10-11-23(36-22)27(35)32-12-3-4-13-32/h1-2,5-9,14-16,22-24H,3-4,10-13H2,(H,30,34)(H,31,33)/t22-,23+,24+/m0/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)
O5C
O5C
表記:1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
組成式:C18 H14 F N O2
SMILES:Fc1ccc(cc1)C(=O)c1c(C)c(c2ccccn12)C(C)=O
InChi:InChI=1S/C18H14FNO2/c1-11-16(12(2)21)15-5-3-4-10-20(15)17(11)18(22)13-6-8-14(19)9-7-13/h3-10H,1-2H3
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one
RGP
RGP
表記:GAMMA-GLUTAMYL PHOSPHATE
組成式:C5 H10 N O7 P
SMILES:O=C(OP(=O)(O)O)CCC(C(=O)O)N
InChi:InChI=1S/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)/t3-/m1/s1
別名:5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE
定義日:2005-07-20
最終更新日:2023-11-03
識別子（ID）:5-oxo-5-(phosphonooxy)-D-norvaline
QO0
QO0
表記:(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H16 Cl2 N2 O3
SMILES:Clc1cc2c(cc1Cl)OCCC2(OC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H16Cl2N2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/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）:(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
MY5
MY5
表記:{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
組成式:C16 H22 N4 O6
SMILES:O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C
InChi:InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1
定義日:2006-05-22
最終更新日:2023-11-03
識別子（ID）:{1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino}-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid
RGQ
RGQ
表記:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H20 Cl F N4 O2
SMILES:Fc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC
InChi:InChI=1S/C22H20ClFN4O2/c1-25-21(29)12-28-10-13-2-3-15(23)7-18(13)19(11-28)22(30)27-20-9-26-8-14-6-16(24)4-5-17(14)20/h2-9,19H,10-12H2,1H3,(H,25,29)(H,27,30)/t19-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
VYH
VYH
表記:8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
組成式:C30 H36 Cl N7 O2
SMILES:Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NCCCN5CCOCC5)nc4N(CCCCN)C3=O
InChi:InChI=1S/C30H36ClN7O2/c1-21-6-4-7-27(35-21)22-8-9-24(26(31)19-22)25-18-23-20-34-30(33-11-5-12-37-14-16-40-17-15-37)36-28(23)38(29(25)39)13-3-2-10-32/h4,6-9,18-20H,2-3,5,10-17,32H2,1H3,(H,33,34,36)
定義日:2023-09-20
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
Q99
Q99
表記:N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
組成式:C21 H18 Cl N3 O5
SMILES:O=C1Nc2ccccc2C(=C1)C(=O)NCCOc1cc(Cl)cc(OC2CC(=O)N2)c1
InChi:InChI=1S/C21H18ClN3O5/c22-12-7-13(9-14(8-12)30-20-11-19(27)25-20)29-6-5-23-21(28)16-10-18(26)24-17-4-2-1-3-15(16)17/h1-4,7-10,20H,5-6,11H2,(H,23,28)(H,24,26)(H,25,27)/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）:N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
NQO
NQO
表記:2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
組成式:C13 H12 Cl N3 O
SMILES:Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C13H12ClN3O/c1-9-5-6-15-17-13(9)16-12(18)8-10-3-2-4-11(14)7-10/h2-7H,8H2,1H3,(H,16,17,18)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
PTH
PTH
表記:CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE
組成式:C10 H14 N O7 P
SMILES:O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O
InChi:InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1
定義日:1999-07-08
最終更新日:2023-11-03
識別子（ID）:3-(hydroxymethyl)-O-phosphono-L-tyrosine
RGX
RGX
表記:(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H21 Cl N4 O3 S
SMILES:O=S(=O)(NC1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H21ClN4O3S/c23-16-6-5-15-12-27(31(29,30)26-17-7-8-17)13-20(19(15)9-16)22(28)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20,26H,7-8,12-13H2,(H,25,28)/t20-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
VYN
VYN
表記:8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
組成式:C26 H29 Cl N6 O3
SMILES:Cc1cccc(n1)c2ccc(c(Cl)c2)C3=Cc4cnc(NC(CO)CO)nc4N(CCCCN)C3=O
InChi:InChI=1S/C26H29ClN6O3/c1-16-5-4-6-23(30-16)17-7-8-20(22(27)12-17)21-11-18-13-29-26(31-19(14-34)15-35)32-24(18)33(25(21)36)10-3-2-9-28/h4-8,11-13,19,34-35H,2-3,9-10,14-15,28H2,1H3,(H,29,31,32)
定義日:2023-09-20
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
5ZA
5ZA
表記:(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-3-(2-HYDROXYETHYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
組成式:C17 H19 N5 O4
SMILES:O=C1N(C(=N/C1=Cc3c2c(cccc2nc3)N)C(N)C(O)C)CC(=O)O
InChi:InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1
定義日:2003-04-22
最終更新日:2023-11-03
識別子（ID）:{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Q8O
Q8O
表記:2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide
組成式:C15 H14 N4 O
SMILES:Cc1ccncc1NC(=O)Cc1ccc2nc[NH]c2c1
InChi:InChI=1S/C15H14N4O/c1-10-4-5-16-8-14(10)19-15(20)7-11-2-3-12-13(6-11)18-9-17-12/h2-6,8-9H,7H2,1H3,(H,17,18)(H,19,20)
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-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide
QOC
QOC
表記:(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
組成式:C20 H16 Cl2 N2 O
SMILES:Clc1ccc(cc1Cl)C1CCCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C20H16Cl2N2O/c21-17-8-7-13(10-18(17)22)16-6-3-9-24(20(16)25)19-12-23-11-14-4-1-2-5-15(14)19/h1-2,4-5,7-8,10-12,16H,3,6,9H2/t16-/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）:(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one

223532

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