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QWL
QWL
Name:(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C19 H14 Cl2 F N3 O
SMILES:Fc1cc2c(cc1)cncc2NC(=O)C1CCNc2cc(Cl)c(Cl)cc21
InChi:InChI=1S/C19H14Cl2FN3O/c20-15-6-14-12(3-4-24-17(14)7-16(15)21)19(26)25-18-9-23-8-10-1-2-11(22)5-13(10)18/h1-2,5-9,12,24H,3-4H2,(H,25,26)/t12-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
QWU
QWU
Name:(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide
Formula:C19 H16 Cl N3 O
SMILES:Clc1cc2c(cc1)NCC2(C)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O/c1-19(11-22-16-7-6-13(20)8-15(16)19)18(24)23-17-10-21-9-12-4-2-3-5-14(12)17/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/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-2,3-dihydro-1H-indole-3-carboxamide
QX3
QX3
Name:(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C18 H17 Cl2 N3 O
SMILES:Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cnccc1C1CC1
InChi:InChI=1S/C18H17Cl2N3O/c19-14-7-13-12(4-6-22-16(13)8-15(14)20)18(24)23-17-9-21-5-3-11(17)10-1-2-10/h3,5,7-10,12,22H,1-2,4,6H2,(H,23,24)/t12-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
QX9
QX9
Name:2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide
Formula:C18 H15 Cl N2 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(C)cc21
InChi:InChI=1S/C18H15ClN2O/c1-12-5-6-14-10-20-11-17(16(14)7-12)21-18(22)9-13-3-2-4-15(19)8-13/h2-8,10-11H,9H2,1H3,(H,21,22)
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide
QXI
QXI
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C27 H25 Cl N6 O3
SMILES:CC1c2nncn2CCN1C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C27H25ClN6O3/c1-17-25-32-30-16-33(25)9-10-34(17)24(35)13-27(8-11-37-23-7-6-19(28)12-21(23)27)26(36)31-22-15-29-14-18-4-2-3-5-20(18)22/h2-7,12,14-17H,8-11,13H2,1H3,(H,31,36)/t17-,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-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QXR
QXR
Name:N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide
Formula:C17 H19 Cl N2 O2
SMILES:O=C(Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1
InChi:InChI=1S/C17H19ClN2O2/c1-17(2,3)22-15-7-8-19-11-14(15)20-16(21)10-12-5-4-6-13(18)9-12/h4-9,11H,10H2,1-3H3,(H,20,21)
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide
QXX
QXX
Name:2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide
Formula:C14 H10 Cl F3 N2 O
SMILES:O=C(Nc1cnccc1C(F)(F)F)Cc1cccc(Cl)c1
InChi:InChI=1S/C14H10ClF3N2O/c15-10-3-1-2-9(6-10)7-13(21)20-12-8-19-5-4-11(12)14(16,17)18/h1-6,8H,7H2,(H,20,21)
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide
QY6
QY6
Name:(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one
Formula:C22 H20 Cl N3 O
SMILES:O=C1N(CCCC11CCNc2ccc(Cl)cc21)c1cncc2ccccc21
InChi:InChI=1S/C22H20ClN3O/c23-16-6-7-19-18(12-16)22(9-10-25-19)8-3-11-26(21(22)27)20-14-24-13-15-4-1-2-5-17(15)20/h1-2,4-7,12-14,25H,3,8-11H2/t22-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one
QYG
QYG
Name:{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:C16 H18 N4 O5
SMILES:C(=O)(O)CN1C(C(CCC(N)=O)N)=NC(C1=O)=Cc2ccc(O)cc2
InChi:InChI=1S/C16H18N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,11,21H,5-6,8,17H2,(H2,18,22)(H,23,24)/b12-7+/t11-/m0/s1
Definition date:2019-01-16
Last modified:2023-11-03
Release date:2019-11-06
Identifier:{(4E)-2-[(1S)-1,4-diamino-4-oxobutyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
QYI
QYI
Name:(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C20 H16 Cl F N2 O3
SMILES:Fc1cc2c(cc1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC
InChi:InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-5-3-13(21)8-16(18)20)19(25)24-17-11-23-10-12-2-4-14(22)9-15(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QYN
QYN
Name:(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C22 H18 Cl N5 O3 S
SMILES:O=S(=O)(c1ncc[NH]1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H18ClN5O3S/c23-16-6-5-15-12-28(32(30,31)22-25-7-8-26-22)13-19(18(15)9-16)21(29)27-20-11-24-10-14-3-1-2-4-17(14)20/h1-11,19H,12-13H2,(H,25,26)(H,27,29)/t19-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QYR
QYR
Name:(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C22 H20 Cl N3 O3 S
SMILES:O=S(=O)(C1CC1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H20ClN3O3S/c23-16-6-5-15-12-26(30(28,29)17-7-8-17)13-20(19(15)9-16)22(27)25-21-11-24-10-14-3-1-2-4-18(14)21/h1-6,9-11,17,20H,7-8,12-13H2,(H,25,27)/t20-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QYX
QYX
Name:2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid
Formula:C16 H18 N3 O4 S
SMILES:CSCCC(=N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2
InChi:InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,17H,6-9H2,1H3,(H-,20,21,22)/p+1/b17-12-
Synonyms:CHROMOPHORE (MET-TYR-GLY)
Definition date:2022-11-18
Last modified:2023-11-03
Release date:2023-02-15
Identifier:2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid
QZ0
QZ0
Name:(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-N~2~,N~2~-dimethyl-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide
Formula:C22 H21 Cl N4 O2
SMILES:CN(C)C(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H21ClN4O2/c1-26(2)22(29)27-12-15-7-8-16(23)9-18(15)19(13-27)21(28)25-20-11-24-10-14-5-3-4-6-17(14)20/h3-11,19H,12-13H2,1-2H3,(H,25,28)/t19-/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)-N~2~,N~2~-dimethyl-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide
QZC
QZC
Name:(4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C21 H21 Cl N4 O3 S
SMILES:CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C21H21ClN4O3S/c1-25(2)30(28,29)26-12-15-7-8-16(22)9-18(15)19(13-26)21(27)24-20-11-23-10-14-5-3-4-6-17(14)20/h3-11,19H,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QZL
QZL
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H25 Cl N4 O3 S
SMILES:O=S(=O)(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)N1CCC(C)C1
InChi:InChI=1S/C24H25ClN4O3S/c1-16-8-9-28(13-16)33(31,32)29-14-18-6-7-19(25)10-21(18)22(15-29)24(30)27-23-12-26-11-17-4-2-3-5-20(17)23/h2-7,10-12,16,22H,8-9,13-15H2,1H3,(H,27,30)/t16-,22-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QZU
QZU
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C23 H20 Cl N3 O3
SMILES:C=CC(=O)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H20ClN3O3/c1-2-21(28)26-14-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)27-19-13-25-12-15-5-3-4-6-17(15)19/h2-8,11-13H,1,9-10,14H2,(H,26,28)(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-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
R08
R08
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H20 Cl N5 O2
SMILES:O=C(N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21)c1ccnn1C
InChi:InChI=1S/C24H20ClN5O2/c1-29-22(8-9-27-29)24(32)30-13-16-6-7-17(25)10-19(16)20(14-30)23(31)28-21-12-26-11-15-4-2-3-5-18(15)21/h2-12,20H,13-14H2,1H3,(H,28,31)/t20-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
R0F
R0F
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C22 H21 Cl N4 O2
SMILES:CNC(=O)CN1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H21ClN4O2/c1-24-21(28)13-27-11-15-6-7-16(23)8-18(15)19(12-27)22(29)26-20-10-25-9-14-4-2-3-5-17(14)20/h2-10,19H,11-13H2,1H3,(H,24,28)(H,26,29)/t19-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
R0K
R0K
Name:(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid
Formula:C11 H18 N2 O7
SMILES:N[CH](CCC(=O)N[CH](CCCC(O)=O)C(O)=O)C(O)=O
InChi:InChI=1S/C11H18N2O7/c12-6(10(17)18)4-5-8(14)13-7(11(19)20)2-1-3-9(15)16/h6-7H,1-5,12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-/m0/s1
Definition date:2023-03-29
Last modified:2023-11-03
Release date:2023-04-05
Identifier:(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hexanedioic acid
R0Q
R0Q
Name:methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate
Formula:C22 H20 Cl N3 O4
SMILES:O=C(OC)NCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H20ClN3O4/c1-29-21(28)25-13-22(8-9-30-19-7-6-15(23)10-17(19)22)20(27)26-18-12-24-11-14-4-2-3-5-16(14)18/h2-7,10-12H,8-9,13H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate
R1I
R1I
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C22 H22 Cl N3 O2
SMILES:Clc1ccc2CN(CC(c2c1)C(=O)Nc1cncc2ccccc21)CCOC
InChi:InChI=1S/C22H22ClN3O2/c1-28-9-8-26-13-16-6-7-17(23)10-19(16)20(14-26)22(27)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,8-9,13-14H2,1H3,(H,25,27)/t20-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
R1U
R1U
Name:2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
Formula:C15 H13 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cnn(C)c12
InChi:InChI=1S/C15H13ClN4O/c1-20-15-11(8-18-20)7-17-9-13(15)19-14(21)6-10-3-2-4-12(16)5-10/h2-5,7-9H,6H2,1H3,(H,19,21)
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide
R2L
R2L
Name:(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula: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
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
R2X
R2X
Name:(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)
Formula: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
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)

222415

數據於2024-07-10公開中

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