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QP0
QP0
表記:(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H17 Cl N2 O2
SMILES:Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19+/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）:(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
R43
R43
表記:(4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C23 H20 Cl N5 O3 S
SMILES:N#CC1CN(C1)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H20ClN5O3S/c24-18-6-5-17-13-29(33(31,32)28-11-15(8-25)12-28)14-21(20(17)7-18)23(30)27-22-10-26-9-16-3-1-2-4-19(16)22/h1-7,9-10,15,21H,11-14H2,(H,27,30)/t21-/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）:(4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QP6
QP6
表記:(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H16 F2 N2 O3
SMILES:Fc1cc(F)c2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(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)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QPA
QPA
表記:S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine
組成式:C6 H12 N O8 P S
SMILES:O=C(O)C(OP(=O)(O)O)(SCC(C(=O)O)N)C
InChi:InChI=1S/C6H12NO8PS/c1-6(5(10)11,15-16(12,13)14)17-2-3(7)4(8)9/h3H,2,7H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,6-/m0/s1
定義日:2011-07-12
最終更新日:2023-11-03
識別子（ID）:S-[(1S)-1-carboxy-1-(phosphonooxy)ethyl]-L-cysteine
MZF
MZF
表記:(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
組成式:C11 H8 Br N3 O3
SMILES:Brc1cc2C(O)C(=O)N(Cc3ncon3)c2cc1
InChi:InChI=1S/C11H8BrN3O3/c12-6-1-2-8-7(3-6)10(16)11(17)15(8)4-9-13-5-18-14-9/h1-3,5,10,16H,4H2/t10-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one
RI1
RI1
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
組成式:C18 H14 Cl N3 O3 S
SMILES:Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C18H14ClN3O3S/c19-12-5-6-17-14(7-12)15(9-21-26(17,24)25)18(23)22-16-10-20-8-11-3-1-2-4-13(11)16/h1-8,10,15,21H,9H2,(H,22,23)/t15-/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-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
OOL
OOL
表記:(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
組成式:C7 H9 N3 O2
SMILES:N=Cc1nc(OC)cc(OC)n1
InChi:InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine
QPH
QPH
表記:N-formyl-L-phenylalanine
組成式:C10 H11 N O3
SMILES:O=C(O)C(NC=O)Cc1ccccc1
InChi:InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1
定義日:2011-04-28
最終更新日:2023-11-03
識別子（ID）:N-formyl-L-phenylalanine
RI6
RI6
表記:(4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H20 Cl2 N4 O2
SMILES:Clc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC
InChi:InChI=1S/C22H20Cl2N4O2/c1-25-21(29)12-28-10-13-2-3-16(24)7-18(13)19(11-28)22(30)27-20-9-26-8-14-6-15(23)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-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
R4K
R4K
表記:(2S,3R)-2-azanyl-3-hydroxy-3-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]propanoic acid
組成式:C11 H12 N2 O5
SMILES:O=C(O)C(N)C(O)C2(O)c1ccccc1NC2=O
InChi:InChI=1S/C11H12N2O5/c12-7(9(15)16)8(14)11(18)5-3-1-2-4-6(5)13-10(11)17/h1-4,7-8,14,18H,12H2,(H,13,17)(H,15,16)/t7-,8+,11-/m0/s1
定義日:2011-03-25
最終更新日:2023-11-03
識別子（ID）:(3R)-3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-serine
0FL
0FL
表記:3-amino-N-formyl-L-alanine
組成式:C4 H8 N2 O3
SMILES:O=CNC(C(=O)O)CN
InChi:InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
定義日:2010-09-24
最終更新日:2023-11-03
識別子（ID）:3-amino-N-formyl-L-alanine
KJI
KJI
表記:N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
組成式:C17 H16 N4 O
SMILES:O=C(Nc1cnccc1C)CNc1ccnc2ccccc21
InChi:InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
QPQ
QPQ
表記:(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H16 Cl F N2 O3
SMILES:Clc1cc2c(cc1F)OCCC2(OC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H16ClFN2O3/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-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
RIJ
RIJ
表記:2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
組成式:C24 H21 Cl N4 O3
SMILES:CNC(=O)CN1Cc2ccc(Cl)cc2C2(CC(=O)N(C2=O)c2cncc3ccccc32)C1
InChi:InChI=1S/C24H21ClN4O3/c1-26-21(30)13-28-12-16-6-7-17(25)8-19(16)24(14-28)9-22(31)29(23(24)32)20-11-27-10-15-4-2-3-5-18(15)20/h2-8,10-11H,9,12-14H2,1H3,(H,26,30)/t24-/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）:2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
KJO
KJO
表記:N-phenyl-2-(pyridin-3-yl)prop-2-enamide
組成式:C14 H12 N2 O
SMILES:O=C(Nc1ccccc1)C(=C)c1cccnc1
InChi:InChI=1S/C14H12N2O/c1-11(12-6-5-9-15-10-12)14(17)16-13-7-3-2-4-8-13/h2-10H,1H2,(H,16,17)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-phenyl-2-(pyridin-3-yl)prop-2-enamide
N00
N00
表記:(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
組成式:C16 H14 Cl N O2
SMILES:O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C
InChi:InChI=1S/C16H14ClNO2/c1-8-11(9(2)16(19)20)4-5-12-13-7-10(17)3-6-14(13)18-15(8)12/h3-7,9,18H,1-2H3,(H,19,20)/t9-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid
R4X
R4X
表記:(4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H21 Cl N4 O3 S
SMILES:O=S(=O)(N1CCC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H21ClN4O3S/c23-17-7-6-16-13-27(31(29,30)26-8-3-9-26)14-20(19(16)10-17)22(28)25-21-12-24-11-15-4-1-2-5-18(15)21/h1-2,4-7,10-12,20H,3,8-9,13-14H2,(H,25,28)/t20-/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）:(4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
KJW
KJW
表記:(d)3-hydroxy-Leucine
組成式:C6 H13 N O3
SMILES:CC(C)[CH](O)[CH](N)C(O)=O
InChi:InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m1/s1
定義日:2019-05-28
最終更新日:2023-11-03
公開日:2020-07-08
識別子（ID）:(2~{R},3~{S})-2-azanyl-4-methyl-3-oxidanyl-pentanoic acid
RIU
RIU
表記:2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
組成式:C21 H22 Cl N3 O2
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OCCN(C)C
InChi:InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-7-6-16-13-23-14-20(19(16)12-18)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
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-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide
QQ6
QQ6
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide
組成式:C19 H15 Cl N2 O S
SMILES:Clc1ccc2SCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H15ClN2OS/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/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-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide
RIY
RIY
表記:(4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C21 H21 Cl N4 O3 S
SMILES:CCNS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C21H21ClN4O3S/c1-2-24-30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)25-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19,24H,2,12-13H2,1H3,(H,25,27)/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-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N0A
N0A
表記:3-fluoro-L-phenylalanine
組成式:C9 H10 F N O2
SMILES:NC(Cc1cccc(c1)F)C(=O)O
InChi:InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2019-04-26
最終更新日:2023-11-03
公開日:2020-04-29
識別子（ID）:3-fluoro-L-phenylalanine
N0F
N0F
表記:(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide
組成式:C18 H23 N3 O2 S
SMILES:Cc1ccncc1NC(=O)CC(N1CCC(O)CC1)c1ccsc1
InChi:InChI=1S/C18H23N3O2S/c1-13-2-6-19-11-16(13)20-18(23)10-17(14-5-9-24-12-14)21-7-3-15(22)4-8-21/h2,5-6,9,11-12,15,17,22H,3-4,7-8,10H2,1H3,(H,20,23)/t17-/m1/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide
RJ3
RJ3
表記:4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid
組成式:C18 H13 Cl N2 O3
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O)O
InChi:InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-8-12(18(23)24)4-5-15(13)16/h1-6,8-10H,7H2,(H,21,22)(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）:4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid
QQF
QQF
表記:2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide
組成式:C21 H19 Cl2 N3 O3
SMILES:Clc1ccc(cc1Cl)C(C)(NC(=O)COC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C21H19Cl2N3O3/c1-21(26-19(27)12-29-2,14-7-8-16(22)17(23)9-14)20(28)25-18-11-24-10-13-5-3-4-6-15(13)18/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27)/t21-/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）:2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide

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