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DFO
DFO
Name:2,2-DIFLUORO-3-HYDROSTATINE
Formula:C8 H15 F2 N O4
SMILES:FC(F)(C(=O)O)C(O)(O)C(N)CC(C)C
InChi:InChI=1S/C8H15F2NO4/c1-4(2)3-5(11)8(14,15)7(9,10)6(12)13/h4-5,14-15H,3,11H2,1-2H3,(H,12,13)/t5-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:(4S)-4-amino-2,2-difluoro-3,3-dihydroxy-6-methylheptanoic acid
DI7
DI7
Name:2,6-dimethyl-L-tyrosine
Formula:C11 H15 N O3
SMILES:O=C(O)C(N)Cc1c(cc(O)cc1C)C
InChi:InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
Definition date:2014-12-10
Last modified:2023-11-03
Release date:2015-01-14
Identifier:2,6-dimethyl-L-tyrosine
DJD
DJD
Name:4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
Formula:C12 H13 N5 O2
SMILES:NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
Definition date:2017-10-26
Last modified:2023-11-03
Release date:2019-10-02
Identifier:4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
DM0
DM0
Name:N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine
Formula:C10 H22 N2 O2
SMILES:O=C(O)C(N(C)C)CCCCN(C)C
InChi:InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1
Definition date:2008-03-25
Last modified:2023-11-03
Identifier:N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine
DMT
DMT
Name:3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID
Formula:C11 H21 N O3
SMILES:O=C(O)C(NC)C(O)C(C/C=C/C)(C)C
InChi:InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid
QR5
QR5
Name:(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide
Formula:C26 H25 Cl2 N5 O3
SMILES:Clc1ccc(cc1Cl)C(C)(NC(=O)CN1CCN(C2CC2)C1=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C26H25Cl2N5O3/c1-26(17-6-9-20(27)21(28)12-17,24(35)30-22-14-29-13-16-4-2-3-5-19(16)22)31-23(34)15-32-10-11-33(25(32)36)18-7-8-18/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,30,35)(H,31,34)/t26-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide
QR9
QR9
Name:(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C28 H27 Cl N4 O4
SMILES:CC(=O)N1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C28H27ClN4O4/c1-17(34)32-15-21-11-20(32)16-33(21)26(35)12-28(8-9-37-25-7-6-19(29)10-23(25)28)27(36)31-24-14-30-13-18-4-2-3-5-22(18)24/h2-7,10,13-14,20-21H,8-9,11-12,15-16H2,1H3,(H,31,36)/t20-,21-,28+/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QRF
QRF
Name:2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
Formula:C26 H23 Cl N4 O3
SMILES:O=C(N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1)c1ccco1
InChi:InChI=1S/C26H23ClN4O3/c27-20-12-18(14-25(32)29-23-17-28-16-19-4-1-2-5-22(19)23)13-21(15-20)30-7-9-31(10-8-30)26(33)24-6-3-11-34-24/h1-6,11-13,15-17H,7-10,14H2,(H,29,32)
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
QRS
QRS
Name:(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide
Formula:C24 H24 Cl2 N4 O2
SMILES:O=C(NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCN(C)C1
InChi:InChI=1S/C24H24Cl2N4O2/c1-24(17-7-8-19(25)20(26)11-17,29-22(31)16-9-10-30(2)14-16)23(32)28-21-13-27-12-15-5-3-4-6-18(15)21/h3-8,11-13,16H,9-10,14H2,1-2H3,(H,28,32)(H,29,31)/t16-,24+/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide
QS3
QS3
Name:(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
Formula:C21 H16 Cl N3 O3
SMILES:Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4ccccc43)c2c1
InChi:InChI=1S/C21H16ClN3O3/c1-24-20(27)25(17-12-23-11-13-4-2-3-5-15(13)17)19(26)21(24)8-9-28-18-7-6-14(22)10-16(18)21/h2-7,10-12H,8-9H2,1H3/t21-/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
QSF
QSF
Name:(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide
Formula:C19 H14 Cl N3 O2
SMILES:Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide
QSX
QSX
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C27 H27 Cl N4 O3
SMILES:CN1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C27H27ClN4O3/c1-31-15-20-11-19(31)16-32(20)25(33)12-27(8-9-35-24-7-6-18(28)10-22(24)27)26(34)30-23-14-29-13-17-4-2-3-5-21(17)23/h2-7,10,13-14,19-20H,8-9,11-12,15-16H2,1H3,(H,30,34)/t19-,20-,27-/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QT3
QT3
Name:(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Formula:C20 H18 Cl N3 O
SMILES:Clc1ccc2CCN(C)C(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18ClN3O/c1-24-9-8-13-6-7-15(21)10-17(13)19(24)20(25)23-18-12-22-11-14-4-2-3-5-16(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,23,25)/t19-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
QTC
QTC
Name:2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide
Formula:C19 H17 Cl N2 O
SMILES:CCc1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H17ClN2O/c1-2-13-7-14(9-16(20)8-13)10-19(23)22-18-12-21-11-15-5-3-4-6-17(15)18/h3-9,11-12H,2,10H2,1H3,(H,22,23)
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide
QTL
QTL
Name:(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Formula:C19 H16 Cl N3 O
SMILES:Clc1ccc2CCNC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O/c20-14-6-5-12-7-8-22-18(16(12)9-14)19(24)23-17-11-21-10-13-3-1-2-4-15(13)17/h1-6,9-11,18,22H,7-8H2,(H,23,24)/t18-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
QU9
QU9
Name:(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C29 H28 Cl N5 O3
SMILES:Clc1ccc2OCCC(CC(=O)N3CCCC3Cn3ccnc3)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C29H28ClN5O3/c30-21-7-8-26-24(14-21)29(9-13-38-26,28(37)33-25-17-32-16-20-4-1-2-6-23(20)25)15-27(36)35-11-3-5-22(35)18-34-12-10-31-19-34/h1-2,4,6-8,10,12,14,16-17,19,22H,3,5,9,11,13,15,18H2,(H,33,37)/t22-,29+/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QUA
QUA
Name:8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID
Formula:C12 H13 N O4
SMILES:O=C(O)c1nc2c(c(c1)C(O)C)C=CCC2O
InChi:InChI=1S/C12H13NO4/c1-6(14)8-5-9(12(16)17)13-11-7(8)3-2-4-10(11)15/h2-3,5-6,10,14-15H,4H2,1H3,(H,16,17)/t6-,10-/m0/s1
Definition date:2000-11-02
Last modified:2023-11-03
Identifier:(8S)-8-hydroxy-4-[(1S)-1-hydroxyethyl]-7,8-dihydroquinoline-2-carboxylic acid
QUQ
QUQ
Name:(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C21 H18 Cl N3 O2
SMILES:CC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C21H18ClN3O2/c1-13(26)25-11-15-6-7-16(22)8-18(15)19(12-25)21(27)24-20-10-23-9-14-4-2-3-5-17(14)20/h2-10,19H,11-12H2,1H3,(H,24,27)/t19-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QV0
QV0
Name:(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one
Formula:C22 H19 Cl N2 O2
SMILES:Clc1ccc2OCCC3(CCCN(C3=O)c3cncc4ccccc43)c2c1
InChi:InChI=1S/C22H19ClN2O2/c23-16-6-7-20-18(12-16)22(9-11-27-20)8-3-10-25(21(22)26)19-14-24-13-15-4-1-2-5-17(15)19/h1-2,4-7,12-14H,3,8-11H2/t22-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one
QV9
QV9
Name:(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
Formula:C19 H15 Cl N2 O
SMILES:Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
QVE
QVE
Name:8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid
Formula:C12 H10 N2 O5
SMILES:Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O
InChi:InChI=1S/C12H10N2O5/c13-7-3-1-2-6-9(19-5-10(15)16)4-8(12(17)18)14-11(6)7/h1-4H,5,13H2,(H,15,16)(H,17,18)
Definition date:2016-05-24
Last modified:2023-11-03
Release date:2017-03-01
Identifier:8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid
QVG
QVG
Name:(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C19 H13 Cl F2 N2 O2
SMILES:Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21
InChi:InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QVJ
QVJ
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C23 H22 Cl N3 O4
SMILES:CNC(=O)COCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H22ClN3O4/c1-25-21(28)13-30-14-23(8-9-31-20-7-6-16(24)10-18(20)23)22(29)27-19-12-26-11-15-4-2-3-5-17(15)19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,28)(H,27,29)/t23-/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QVU
QVU
Name:(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C18 H14 Cl2 N4 O
SMILES:Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21
InChi:InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
QW1
QW1
Name:(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide
Formula:C20 H17 Cl N4 O2
SMILES:NC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN4O2/c21-14-6-5-13-10-25(20(22)27)11-17(16(13)7-14)19(26)24-18-9-23-8-12-3-1-2-4-15(12)18/h1-9,17H,10-11H2,(H2,22,27)(H,24,26)/t17-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide

222415

数据于2024-07-10公开中

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