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PRW

PRW
Name:	(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID
Formula:	C4 H9 N O4
SMILES:	O=C(O)C(O)C(O)CN
InChi:	InChI=1S/C4H9NO4/c5-1-2(6)3(7)4(8)9/h2-3,6-7H,1,5H2,(H,8,9)/t2-,3-/m1/s1
Definition date:	2010-02-02
Last modified:	2023-11-03
Identifier:	(2R,3R)-4-amino-2,3-dihydroxybutanoic acid

PSA

PSA
Name:	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
Formula:	C11 H15 N O3
SMILES:	O=C(O)CC(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-amino-2,4,5-trideoxy-5-phenyl-L-threo-pentonic acid

PSH

PSH
Name:	1-thiophosphono-L-histidine
Formula:	C6 H10 N3 O4 P S
SMILES:	O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O
InChi:	InChI=1S/C6H10N3O4PS/c7-5(6(10)11)1-4-2-9(3-8-4)14(12,13)15/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,15)/t5-/m0/s1
Definition date:	2007-09-28
Last modified:	2023-11-03
Identifier:	1-thiophosphono-L-histidine

PSW

PSW
Name:	3-(SULFANYLSELANYL)-L-ALANINE
Formula:	C3 H7 N O2 S Se
SMILES:	O=C(O)C(N)C[Se]S
InChi:	InChI=1S/C3H7NO2SSe/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
Definition date:	2009-08-07
Last modified:	2023-11-03
Identifier:	3-(sulfanylselanyl)-L-alanine

PTH

PTH
Name:	CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE
Formula:	C10 H14 N O7 P
SMILES:	O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O
InChi:	InChI=1S/C10H14NO7P/c11-8(10(13)14)4-6-1-2-9(7(3-6)5-12)18-19(15,16)17/h1-3,8,12H,4-5,11H2,(H,13,14)(H2,15,16,17)/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-(hydroxymethyl)-O-phosphono-L-tyrosine

PTM

PTM
Name:	ALPHA-METHYL-O-PHOSPHOTYROSINE
Formula:	C10 H14 N O6 P
SMILES:	O=P(Oc1ccc(cc1)CC(C(=O)O)(N)C)(O)O
InChi:	InChI=1S/C10H14NO6P/c1-10(11,9(12)13)6-7-2-4-8(5-3-7)17-18(14,15)16/h2-5H,6,11H2,1H3,(H,12,13)(H2,14,15,16)/t10-/m0/s1
Definition date:	2001-09-19
Last modified:	2023-11-03
Identifier:	alpha-methyl-O-phosphono-L-tyrosine

PTR

PTR
Name:	O-PHOSPHOTYROSINE
Formula:	C9 H12 N O6 P
SMILES:	O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
InChi:	InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
Synonyms:	PHOSPHONOTYROSINE
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	O-phosphono-L-tyrosine

PUK

PUK
Name:	N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
Formula:	C18 H22 N2 O2
SMILES:	O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2
InChi:	InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1
Definition date:	2009-02-06
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine

PUU

PUU
Name:	(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:	C21 H18 Cl N3 O2
SMILES:	CC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C21H18ClN3O2/c1-13(26)25-9-8-17(18-10-15(22)6-7-20(18)25)21(27)24-19-12-23-11-14-4-2-3-5-16(14)19/h2-7,10-12,17H,8-9H2,1H3,(H,24,27)/t17-/m1/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

PVA

PVA
Name:	1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID
Formula:	C4 H12 N O3 P
SMILES:	O=P(O)(O)C(N)C(C)C
InChi:	InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/t4-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-methylpropyl]phosphonic acid

PVH

PVH
Name:	HISTIDINE-METHYL-ESTER
Formula:	C7 H12 N3 O2
SMILES:	O=C(OC)C(N)Cc1cnc[nH+]1
InChi:	InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1
Definition date:	2001-04-02
Last modified:	2023-11-03
Identifier:	methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate

PVO

PVO
Name:	2,2-bis(oxidanyl)propanoic acid
Formula:	C3 H6 O4
SMILES:	CC(O)(O)C(O)=O
InChi:	InChI=1S/C3H6O4/c1-3(6,7)2(4)5/h6-7H,1H3,(H,4,5)
Definition date:	2016-08-23
Last modified:	2023-11-03
Release date:	2017-09-13
Identifier:	2,2-bis(oxidanyl)propanoic acid

PVR

PVR
Name:	2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide
Formula:	C16 H22 N4 O2
SMILES:	O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1
InChi:	InChI=1S/C16H22N4O2/c1-12(21)20-8-6-19(7-9-20)11-16(22)18-15-10-17-5-4-14(15)13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,22)
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide

QD1

QD1
Name:	6-chloroquinolin-4-amine
Formula:	C9 H7 Cl N2
SMILES:	Clc1ccc2nccc(N)c2c1
InChi:	InChI=1S/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
Definition date:	2022-06-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	6-chloroquinolin-4-amine

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

QDI

QDI
Name:	6-fluoroquinolin-4-amine
Formula:	C9 H7 F N2
SMILES:	Fc1ccc2nccc(N)c2c1
InChi:	InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
Definition date:	2022-06-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	6-fluoroquinolin-4-amine

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

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

QEF

QEF
Name:	6-fluoro-2-methylquinolin-4-amine
Formula:	C10 H9 F N2
SMILES:	Fc1ccc2nc(C)cc(N)c2c1
InChi:	InChI=1S/C10H9FN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
Definition date:	2022-06-07
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	6-fluoro-2-methylquinolin-4-amine

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

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