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QL3

QL3
Name:	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide
Formula:	C25 H21 Cl N4 O2
SMILES:	O=C(C)Nc1ccc(cn1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21
InChi:	InChI=1S/C25H21ClN4O2/c1-17(31)29-24-10-9-22(15-28-24)30(16-18-5-4-7-21(26)11-18)25(32)12-20-14-27-13-19-6-2-3-8-23(19)20/h2-11,13-15H,12,16H2,1H3,(H,28,29,31)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide

QLC

QLC
Name:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
Formula:	C20 H18 Cl2 N2 O3
SMILES:	Clc1ccc(cc1Cl)C(OCCOC)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide

QLO

QLO
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C22 H20 Cl N3 O3
SMILES:	CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QM3

QM3
Name:	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
Formula:	C21 H15 Cl N2 O3
SMILES:	Clc1ccc2OCCC3(CC(=O)N(C3=O)c3cncc4ccccc43)c2c1
InChi:	InChI=1S/C21H15ClN2O3/c22-14-5-6-18-16(9-14)21(7-8-27-18)10-19(25)24(20(21)26)17-12-23-11-13-3-1-2-4-15(13)17/h1-6,9,11-12H,7-8,10H2/t21-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione

QM8

QM8
Name:	6-Sulfanyl-L-norleucine
Formula:	C6 H13 N O2 S
SMILES:	N[CH](CCCCS)C(O)=O
InChi:	InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1
Synonyms:	(2S)-2-azanyl-6-sulfanyl-hexanoic acid
Definition date:	2020-06-30
Last modified:	2023-11-03
Release date:	2022-01-26
Identifier:	(2~{S})-2-azanyl-6-sulfanyl-hexanoic acid

QM9

QM9
Name:	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C19 H16 Cl N3 O2
SMILES:	Clc1ccc2OCCC(N)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H16ClN3O2/c20-13-5-6-17-15(9-13)19(21,7-8-25-17)18(24)23-16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8,21H2,(H,23,24)/t19-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QMB

QMB
Name:	5-Mercapto-norvaline
Formula:	C5 H11 N O2 S
SMILES:	N[CH](CCCS)C(O)=O
InChi:	InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1
Synonyms:	(2S)-2-azanyl-5-sulfanyl-pentanoic acid
Definition date:	2020-06-30
Last modified:	2023-11-03
Release date:	2022-01-26
Identifier:	(2~{S})-2-azanyl-5-sulfanyl-pentanoic acid

QML

QML
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C21 H17 Cl N2 O3
SMILES:	CCC(=O)N(c1cncc2ccccc21)C(=O)C1COc2ccc(Cl)cc21
InChi:	InChI=1S/C21H17ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h3-11,17H,2,12H2,1H3/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide

QMX

QMX
Name:	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C25 H24 Cl N5 O2
SMILES:	Cn1ccc(n1)CNCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C25H24ClN5O2/c1-31-10-8-19(30-31)14-28-16-25(9-11-33-23-7-6-18(26)12-21(23)25)24(32)29-22-15-27-13-17-4-2-3-5-20(17)22/h2-8,10,12-13,15,28H,9,11,14,16H2,1H3,(H,29,32)/t25-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QN9

QN9
Name:	(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C28 H31 Cl N4 O4
SMILES:	OCCCN1CCN(CC1)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C28H31ClN4O4/c29-21-6-7-25-23(16-21)28(8-15-37-25,17-26(35)33-12-10-32(11-13-33)9-3-14-34)27(36)31-24-19-30-18-20-4-1-2-5-22(20)24/h1-2,4-7,16,18-19,34H,3,8-15,17H2,(H,31,36)/t28-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QNU

QNU
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	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
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

QO0

QO0
Name:	(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	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
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QOC

QOC
Name:	(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
Formula:	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
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one

QOO

QOO
Name:	2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
Formula:	C23 H25 Cl N4 O3 S
SMILES:	O=S(=O)(CC)N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1
InChi:	InChI=1S/C23H25ClN4O3S/c1-2-32(30,31)28-9-7-27(8-10-28)20-12-17(11-19(24)14-20)13-23(29)26-22-16-25-15-18-5-3-4-6-21(18)22/h3-6,11-12,14-16H,2,7-10,13H2,1H3,(H,26,29)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide

7ID

7ID
Name:	(2~{S})-4-[[(2~{S})-5-[[azanyl($l^{4}-azanylidene)methyl]amino]-1-$l^{1}-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-2-$l^{2}-azanyl-4-oxidanylidene-butanoic acid
Formula:	C10 H19 N5 O5
SMILES:	O=C(NC(CCCNC(=N)N)C(=O)O)CC(N)C(=O)O
InChi:	InChI=1S/C10H19N5O5/c11-5(8(17)18)4-7(16)15-6(9(19)20)2-1-3-14-10(12)13/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
Definition date:	2021-08-11
Last modified:	2023-11-03
Release date:	2021-08-18
Identifier:	L-beta-aspartyl-L-arginine

GYC

GYC
Name:	[(4Z)-2-[(1R)-1-AMINO-2-MERCAPTOETHYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C14 H15 N3 O4 S
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)CS)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H15N3O4S/c15-10(7-22)13-16-11(14(21)17(13)6-12(19)20)5-8-1-3-9(18)4-2-8/h1-5,10,18,22H,6-7,15H2,(H,19,20)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (CYS-TYR-GLY)
Definition date:	2006-05-30
Last modified:	2023-11-03
Identifier:	[(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

GYS

GYS
Name:	[(4Z)-2-(1-AMINO-2-HYDROXYETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C14 H15 N3 O5
SMILES:	O=C1C(N=C(N1CC(=O)O)C(N)CO)=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H15N3O5/c15-10(7-18)13-16-11(14(22)17(13)6-12(20)21)5-8-1-3-9(19)4-2-8/h1-5,10,18-19H,6-7,15H2,(H,20,21)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (SER-TYR-GLY)
Definition date:	2006-05-30
Last modified:	2023-11-03
Identifier:	[(4Z)-2-[(1R)-1-amino-2-hydroxyethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

GZB

GZB
Name:	2-benzamidoethanoic acid
Formula:	C9 H9 N O3
SMILES:	OC(=O)CNC(=O)c1ccccc1
InChi:	InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
Definition date:	2017-07-22
Last modified:	2023-11-03
Release date:	2017-11-29
Identifier:	2-benzamidoethanoic acid

GZJ

GZJ
Name:	(2S)-2-(acetylamino)butanoic acid
Formula:	C6 H11 N O3
SMILES:	CC(NC(C(=O)O)CC)=O
InChi:	InChI=1S/C6H11NO3/c1-3-5(6(9)10)7-4(2)8/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
Definition date:	2018-06-06
Last modified:	2023-11-03
Release date:	2019-04-17
Identifier:	(2S)-2-(acetylamino)butanoic acid

GZS

GZS
Name:	4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid
Formula:	C16 H17 N O5 S
SMILES:	OC(=O)CCCN[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
InChi:	InChI=1S/C16H17NO5S/c18-16(19)7-4-12-17-23(20,21)15-10-8-14(9-11-15)22-13-5-2-1-3-6-13/h1-3,5-6,8-11,17H,4,7,12H2,(H,18,19)
Definition date:	2022-05-18
Last modified:	2023-11-03
Release date:	2022-06-29
Identifier:	4-[(4-phenoxyphenyl)sulfonylamino]butanoic acid

H00

H00
Name:	4-sulfanylbutanoic acid
Formula:	C4 H8 O2 S
SMILES:	C(C(=O)O)CCS
InChi:	InChI=1S/C4H8O2S/c5-4(6)2-1-3-7/h7H,1-3H2,(H,5,6)
Definition date:	2017-08-15
Last modified:	2023-11-03
Release date:	2018-02-21
Identifier:	4-sulfanylbutanoic acid

H14

H14
Name:	(2S,3R)-BETA-HYDROXY-PHENYLALANINE
Formula:	C9 H11 N O3
SMILES:	O=C(O)C(N)C(O)c1ccccc1
InChi:	InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
Synonyms:	BETA-HYDROXY-PHENYLALANINE
Definition date:	2008-10-17
Last modified:	2023-11-03
Release date:	2012-12-21
Identifier:	(betaR)-beta-hydroxy-L-phenylalanine

H3I

H3I
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H24 N12 O6
SMILES:	N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(=O)Nc4ncnc5nc[nH]c45)C(O)=O
InChi:	InChI=1S/C20H24N12O6/c21-8(19(35)36)1-2-31(20(37)30-16-11-15(25-4-23-11)26-6-27-16)3-9-12(33)13(34)18(38-9)32-7-29-10-14(22)24-5-28-17(10)32/h4-9,12-13,18,33-34H,1-3,21H2,(H,35,36)(H2,22,24,28)(H2,23,25,26,27,30,37)/t8-,9+,12-,13?,18+/m0/s1
Definition date:	2023-07-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(7~{H}-purin-6-ylcarbamoyl)amino]-2-azanyl-butanoic acid

9PR

9PR
Name:	N-methyl-L-prolinamide
Formula:	C6 H12 N2 O
SMILES:	O=C(NC)C1NCCC1
InChi:	InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
Definition date:	2010-12-09
Last modified:	2023-11-03
Identifier:	N-methyl-L-prolinamide

9R1

9R1
Name:	(2S)-2-aminooctanedioic acid
Formula:	C8 H15 N O4
SMILES:	NC(CCCCCC(O)=O)C(O)=O
InChi:	InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2017-06-01
Last modified:	2023-11-03
Release date:	2017-11-15
Identifier:	(2S)-2-aminooctanedioic acid

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