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QD4

QD4
Name:	(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide
Formula:	C20 H17 Cl N4 O2
SMILES:	NC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H17ClN4O2/c21-13-5-6-18-16(9-13)15(7-8-25(18)20(22)27)19(26)24-17-11-23-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H2,22,27)(H,24,26)/t15-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide

QD9

QD9
Name:	N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide
Formula:	C25 H23 Cl N4 O
SMILES:	CN(C)c1cnc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21
InChi:	InChI=1S/C25H23ClN4O/c1-29(2)22-10-11-24(28-16-22)30(17-18-6-5-8-21(26)12-18)25(31)13-20-15-27-14-19-7-3-4-9-23(19)20/h3-12,14-16H,13,17H2,1-2H3
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide

QDF

QDF
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C19 H14 Cl N3 O2
SMILES:	Clc1ccc2NC(=O)CC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14ClN3O2/c20-12-5-6-16-14(7-12)15(8-18(24)22-16)19(25)23-17-10-21-9-11-3-1-2-4-13(11)17/h1-7,9-10,15H,8H2,(H,22,24)(H,23,25)/t15-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

QDU

QDU
Name:	2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H12 F2 N2 O
SMILES:	Fc1cc(CC(=O)Nc2cncc3ccccc32)c(F)cc1
InChi:	InChI=1S/C17H12F2N2O/c18-13-5-6-15(19)12(7-13)8-17(22)21-16-10-20-9-11-3-1-2-4-14(11)16/h1-7,9-10H,8H2,(H,21,22)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide

C1J

C1J
Name:	N~5~-(N-octylcarbamimidoyl)-L-ornithine
Formula:	C14 H30 N4 O2
SMILES:	NC(C(O)=O)CCCN/C(NCCCCCCCC)=N
InChi:	InChI=1S/C14H30N4O2/c1-2-3-4-5-6-7-10-17-14(16)18-11-8-9-12(15)13(19)20/h12H,2-11,15H2,1H3,(H,19,20)(H3,16,17,18)/t12-/m0/s1
Definition date:	2017-09-08
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-(N-octylcarbamimidoyl)-L-ornithine

QE3

QE3
Name:	2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
Formula:	C16 H12 Cl N3 O
SMILES:	O=C(Cc1ccc(Cl)cn1)Nc1cncc2ccccc21
InChi:	InChI=1S/C16H12ClN3O/c17-12-5-6-13(19-9-12)7-16(21)20-15-10-18-8-11-3-1-2-4-14(11)15/h1-6,8-10H,7H2,(H,20,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide

C1X

C1X
Name:	(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-3(4H)-YLIDENE]-L-LYSINE
Formula:	C16 H26 N2 O6 S
SMILES:	O=C(O)C(N)CCCC/N=C1/CSCC(CCC(=O)O)C1CC(=O)O
InChi:	InChI=1S/C16H26N2O6S/c17-12(16(23)24)3-1-2-6-18-13-9-25-8-10(4-5-14(19)20)11(13)7-15(21)22/h10-12H,1-9,17H2,(H,19,20)(H,21,22)(H,23,24)/b18-13-/t10-,11-,12+/m1/s1
Synonyms:	2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-DIHYDRO-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID
Definition date:	2005-09-11
Last modified:	2023-11-03
Identifier:	(E)-N~6~-[(4R,5S)-5-(2-carboxyethyl)-4-(carboxymethyl)dihydro-2H-thiopyran-3(4H)-ylidene]-L-lysine

QER

QER
Name:	2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H13 F N2 O
SMILES:	Fc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H13FN2O/c18-14-6-3-4-12(8-14)9-17(21)20-16-11-19-10-13-5-1-2-7-15(13)16/h1-8,10-11H,9H2,(H,20,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide

QEX

QEX
Name:	N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide
Formula:	C18 H16 N2 O
SMILES:	Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H16N2O/c1-13-5-4-6-14(9-13)10-18(21)20-17-12-19-11-15-7-2-3-8-16(15)17/h2-9,11-12H,10H2,1H3,(H,20,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide

QF0

QF0
Name:	(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid
Formula:	C14 H15 N O2
SMILES:	O=C(O)CC(N)Cc1ccc2ccccc2c1
InChi:	InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1
Definition date:	2022-06-07
Last modified:	2023-11-03
Release date:	2023-06-14
Identifier:	(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid

QF5

QF5
Name:	N-(isoquinolin-4-yl)-2-phenylacetamide
Formula:	C17 H14 N2 O
SMILES:	O=C(Cc1ccccc1)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H14N2O/c20-17(10-13-6-2-1-3-7-13)19-16-12-18-11-14-8-4-5-9-15(14)16/h1-9,11-12H,10H2,(H,19,20)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(isoquinolin-4-yl)-2-phenylacetamide

QF9

QF9
Name:	2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	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)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide

QFG

QFG
Name:	{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Formula:	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+
Synonyms:	CHROMOPHORE (GLN-PHE-GLY)
Definition date:	2011-10-13
Last modified:	2023-11-03
Identifier:	{(4E)-2-[(1E)-4-amino-4-oxobutanimidoyl]-4-benzylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

QFL

QFL
Name:	2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H13 F N2 O
SMILES:	Fc1ccc(cc1)CC(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H13FN2O/c18-14-7-5-12(6-8-14)9-17(21)20-16-11-19-10-13-3-1-2-4-15(13)16/h1-8,10-11H,9H2,(H,20,21)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide

QFU

QFU
Name:	2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	C18 H13 N3 O
SMILES:	N#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H13N3O/c19-10-14-5-3-4-13(8-14)9-18(22)21-17-12-20-11-15-6-1-2-7-16(15)17/h1-8,11-12H,9H2,(H,21,22)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide

QG3

QG3
Name:	2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H12 F2 N2 O
SMILES:	Fc1cc(cc(F)c1)CC(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide

QGC

QGC
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C22 H19 Cl N6 O
SMILES:	Clc1ccc2c(c1)C(CCN2Cc1nnc[NH]1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C22H19ClN6O/c23-15-5-6-20-18(9-15)17(7-8-29(20)12-21-25-13-26-28-21)22(30)27-19-11-24-10-14-3-1-2-4-16(14)19/h1-6,9-11,13,17H,7-8,12H2,(H,27,30)(H,25,26,28)/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

QGO

QGO
Name:	(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C23 H22 Cl N3 O3
SMILES:	CN(C)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C23H22ClN3O3/c1-27(2)21(28)12-23(9-10-30-20-8-7-16(24)11-18(20)23)22(29)26-19-14-25-13-15-5-3-4-6-17(15)19/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,26,29)/t23-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QGX

QGX
Name:	(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H13 Cl2 N3 O
SMILES:	Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide

C4G

C4G
Name:	N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine
Formula:	C9 H21 N5 O2
SMILES:	NC(C(O)=O)CCCNC(=N)NCCCN
InChi:	InChI=1S/C9H21N5O2/c10-4-2-6-14-9(12)13-5-1-3-7(11)8(15)16/h7H,1-6,10-11H2,(H,15,16)(H3,12,13,14)/t7-/m0/s1
Definition date:	2017-09-13
Last modified:	2023-11-03
Release date:	2017-12-13
Identifier:	N~5~-[N-(3-aminopropyl)carbamimidoyl]-L-ornithine

QH6

QH6
Name:	2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:	C17 H12 Cl F N2 O
SMILES:	Fc1ccc(cc1Cl)CC(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C17H12ClFN2O/c18-14-7-11(5-6-15(14)19)8-17(22)21-16-10-20-9-12-3-1-2-4-13(12)16/h1-7,9-10H,8H2,(H,21,22)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide

C4R

C4R
Name:	(R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium
Formula:	C10 H14 N O2 Rh S
SMILES:	N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O
InChi:	InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6
Synonyms:	(bicyclo [2.2.1] hepta-2-ene)-cystein rhodium
Definition date:	2008-11-11
Last modified:	2023-11-03

QHI

QHI
Name:	(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H14 Cl2 N2 O2
SMILES:	Clc1cc(Cl)c2OCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14Cl2N2O2/c20-12-7-15-14(5-6-25-18(15)16(21)8-12)19(24)23-17-10-22-9-11-3-1-2-4-13(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QHU

QHU
Name:	(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H14 Cl2 N2 O2
SMILES:	Clc1cc2c(cc1Cl)OCCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14Cl2N2O2/c20-15-7-14-13(5-6-25-18(14)8-16(15)21)19(24)23-17-10-22-9-11-3-1-2-4-12(11)17/h1-4,7-10,13H,5-6H2,(H,23,24)/t13-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QI4

QI4
Name:	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide
Formula:	C18 H14 Cl2 N2 O
SMILES:	Clc1ccc(cc1Cl)C(C)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H14Cl2N2O/c1-11(12-6-7-15(19)16(20)8-12)18(23)22-17-10-21-9-13-4-2-3-5-14(13)17/h2-11H,1H3,(H,22,23)/t11-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide

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