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PRU

PRU
Name:	(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid
Formula:	C12 H18 O8
SMILES:	O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C
InChi:	InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m1/s1
Synonyms:	Polyacrylic acid
Definition date:	2014-08-27
Last modified:	2021-03-01
Release date:	2015-06-10
Identifier:	(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid

A15

A15
Name:	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE
Formula:	C24 H14 Cl2 O4
SMILES:	Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5
InChi:	InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H
Synonyms:	A156
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3,3-bis(3-chloro-4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one

A1F

A1F
Name:	1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
Formula:	C20 H23 F N2 O3 S
SMILES:	c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O
InChi:	InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3
Synonyms:	AMF1alpha
Definition date:	2017-05-15
Last modified:	2021-03-01
Release date:	2017-11-15
Identifier:	1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide

PSI

PSI
Name:	methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate
Formula:	C29 H47 N5 O7
SMILES:	O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C
InChi:	InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1
Synonyms:	SKF 107457
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate

A24

A24
Name:	(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE
Formula:	C19 H27 N3 O10
SMILES:	[O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCN2CCOCC2)c3
InChi:	InChI=1S/C19H27N3O10/c23-10-14-15(24)16(25)17(26)19(32-14)31-13-8-11(7-12(9-13)22(28)29)18(27)20-1-2-21-3-5-30-6-4-21/h7-9,14-17,19,23-26H,1-6,10H2,(H,20,27)/t14-,15+,16+,17-,19+/m1/s1
Synonyms:	BMSC-0011
Definition date:	2001-08-16
Last modified:	2021-03-01
Identifier:	3-(alpha-D-galactopyranosyloxy)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide

A26

A26
Name:	(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
Formula:	C12 H9 F3 N2 O2
SMILES:	O=C(Nc1ccc(cc1)C(F)(F)F)C(/C#N)=C(O)C
InChi:	InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
Synonyms:	ANTIPROLIFERATIVE AGENT A771726
Definition date:	1999-10-01
Last modified:	2021-03-01
Identifier:	(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide

A2D

A2D
Name:	BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE
Formula:	C20 H26 N10 O13 P2
SMILES:	O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O
InChi:	InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Synonyms:	BIS(ADENOSINE)-5'-DIPHOSPHATE
Definition date:	2006-10-25
Last modified:	2021-03-01
Identifier:	bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name)

A2N

A2N
Name:	[(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:	C17 H26 N6 O14 P2
SMILES:	O=C(NC1C(O)C(OC1O)COP(=O)(O)OP(=O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O)C
InChi:	InChI=1S/C17H26N6O14P2/c1-6(24)22-9-11(25)7(36-17(9)28)2-33-38(29,30)37-39(31,32)34-3-8-12(26)13(27)16(35-8)23-5-21-10-14(18)19-4-20-15(10)23/h4-5,7-9,11-13,16-17,25-28H,2-3H2,1H3,(H,22,24)(H,29,30)(H,31,32)(H2,18,19,20)/t7-,8-,9-,11-,12-,13-,16-,17-/m1/s1
Synonyms:	2'-N-Acetyl ADP ribose
Definition date:	2010-11-16
Last modified:	2021-03-01
Identifier:	[(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

A2V

A2V
Name:	1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
Formula:	C20 H22 F2 N2 O3 S
SMILES:	c1(cc(F)c(C)c(c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O
InChi:	InChI=1S/C20H22F2N2O3S/c1-3-8-24-19-6-5-16(11-15(19)4-7-20(24)25)23-28(26,27)12-14-9-17(21)13(2)18(22)10-14/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3
Synonyms:	AMF2beta
Definition date:	2017-05-15
Last modified:	2021-03-01
Release date:	2017-11-15
Identifier:	1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide

PUA

PUA
Name:	ADENYLATE-3'-PHOSPHATE-[[2'-DEOXY-URIDINE-5'-PHOSPHATE]-3'-PHOSPHATE]
Formula:	C19 H27 N7 O20 P4
SMILES:	O=C1C=CN(C(=O)N1)C5OC(COP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C5
InChi:	InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1
Synonyms:	U-PI-A-PI
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-[(phosphonooxy)methyl]tetrahydrofuran-3-yl dihydrogen diphosphate (non-preferred name)

PUM

PUM
Name:	(1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol
Formula:	C17 H26 N8 O9
SMILES:	O=C1C(=CNC(N1)=O)C2OC(C(C2O)O)CNC(=O)C(N(O)C(=O)CN/C(N)=N)CCC(N)=O
InChi:	InChI=1S/C17H26N8O9/c18-9(26)2-1-7(25(33)10(27)5-22-16(19)20)15(31)21-4-8-11(28)12(29)13(34-8)6-3-23-17(32)24-14(6)30/h3,7-8,11-13,28-29,33H,1-2,4-5H2,(H2,18,26)(H,21,31)(H4,19,20,22)(H2,23,24,30,32)/t7-,8+,11+,12+,13-/m0/s1
Synonyms:	pseudouridimycin
Definition date:	2017-02-13
Last modified:	2021-03-01
Release date:	2017-07-05
Identifier:	(1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol

A3W

A3W
Name:	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine
Formula:	C17 H20 F3 N7 O2
SMILES:	Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F
InChi:	InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)
Synonyms:	PQR309
Definition date:	2017-08-10
Last modified:	2021-03-01
Release date:	2017-09-06
Identifier:	5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine

PUT

PUT
Name:	1,4-DIAMINOBUTANE
Formula:	C4 H12 N2
SMILES:	NCCCCN
InChi:	InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
Synonyms:	PUTRESCINE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	butane-1,4-diamine

PVB

PVB
Name:	PURVALANOL B
Formula:	C20 H25 Cl N6 O3
SMILES:	O=C(O)c1ccc(cc1Cl)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO
InChi:	InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
Synonyms:	2-CHLORO-4-{[2-{[(1R)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}-9-(1-METHYLETHYL)-9H-PURIN-6-YL]AMINO}BENZOIC ACID
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	2-chloro-4-{[2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-(1-methylethyl)-9H-purin-6-yl]amino}benzoic acid

MLO

MLO
Name:	5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol
Formula:	C18 H18 O2
SMILES:	Oc2ccc(cc2c1c(O)ccc(c1)C/C=C)C/C=C
InChi:	InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2
Synonyms:	magnolol
Definition date:	2011-03-23
Last modified:	2021-03-01
Identifier:	5,5'-di(prop-2-en-1-yl)biphenyl-2,2'-diol

MMH

MMH
Name:	N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide
Formula:	C21 H22 N6 O3
SMILES:	O=C(Nc1cccc(c1)NC(=O)c3c(nnc3N/N=C/c2ccc(OC)cc2)C)C
InChi:	InChI=1S/C21H22N6O3/c1-13-19(21(29)24-17-6-4-5-16(11-17)23-14(2)28)20(27-25-13)26-22-12-15-7-9-18(30-3)10-8-15/h4-12H,1-3H3,(H,23,28)(H,24,29)(H2,25,26,27)/b22-12+
Synonyms:	(E)-N-(3-Acetamidophenyl)-5-(2-(4-methoxybenzylidene)hydrazinyl)-3-methyl-1H-pyrazole-4-carboxamide
Definition date:	2008-12-02
Last modified:	2021-03-01
Identifier:	N-[3-(acetylamino)phenyl]-5-{(2E)-2-[(4-methoxyphenyl)methylidene]hydrazino}-3-methyl-1H-pyrazole-4-carboxamide

MML

MML
Name:	1-methyl-4-(1-methylethyl)benzene
Formula:	C10 H14
SMILES:	c1cc(ccc1C(C)C)C
InChi:	InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
Synonyms:	p-cymene
Definition date:	2010-05-06
Last modified:	2021-03-01
Identifier:	1-methyl-4-(propan-2-yl)benzene

MMN

MMN
Name:	5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL
Formula:	C8 H19 N O6
SMILES:	OC(C(NC(O)C)CO)C(O)C(O)CO
InChi:	InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1
Synonyms:	N-ACETYLMANNOSAMINITOL
Definition date:	2004-10-27
Last modified:	2021-03-01
Identifier:	2-deoxy-2-{[(1S)-1-hydroxyethyl]amino}-D-mannitol

MMZ

MMZ
Name:	1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE
Formula:	C4 H6 N2 S
SMILES:	S=C1N(C=CN1)C
InChi:	InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
Synonyms:	METHIMAZOLE
Definition date:	2006-05-04
Last modified:	2021-03-01
Identifier:	1-methyl-1,3-dihydro-2H-imidazole-2-thione

A7E

A7E
Name:	3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C12 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2nc(C#C)c1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C12H14N5O7P/c1-2-5-7-10(13)14-4-15-11(7)17(16-5)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h1,4,6,8-9,12,18-19H,3H2,(H2,13,14,15)(H2,20,21,22)/t6-,8-,9-,12-/m1/s1
Synonyms:	8-aza-7-deaza-7-ethynyl Adenosine
Definition date:	2013-11-22
Last modified:	2021-03-01
Release date:	2014-07-02
Identifier:	3-ethynyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

MNN

MNN
Name:	(S)-MANDELIC ACID NITRILE
Formula:	C8 H7 N O
SMILES:	N#CC(O)c1ccccc1
InChi:	InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1
Synonyms:	(S)-HYDROXY(PHENYL)ACETONITRILE
Definition date:	2005-01-19
Last modified:	2021-03-01
Identifier:	(2S)-hydroxy(phenyl)ethanenitrile

MNS

MNS
Name:	5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE
Formula:	C12 H14 N2 O2 S
SMILES:	O=S(=O)(c1cccc2c1cccc2N(C)C)N
InChi:	InChI=1S/C12H14N2O2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
Synonyms:	DANSYLAMIDE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-(dimethylamino)naphthalene-1-sulfonamide

MNT

MNT
Name:	2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE
Formula:	C18 H22 N6 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3NC
InChi:	InChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1
Synonyms:	MANT-ADP
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	2'-deoxy-3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(trihydrogen diphosphate)

A88

A88
Name:	(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-TRIAZACYCLOHEPTANE
Formula:	C34 H37 N3 O6
SMILES:	O=C1N(C(C(O)CN(N1Cc2ccc(O)c(OC)c2)Cc3ccccc3)Cc4ccccc4)Cc5ccc(O)c(OC)c5
InChi:	InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3/t28-,31-/m1/s1
Synonyms:	A-98881
Definition date:	1999-07-07
Last modified:	2021-03-01
Identifier:	(5R,6R)-1,5-dibenzyl-6-hydroxy-2,4-bis(4-hydroxy-3-methoxybenzyl)-1,2,4-triazepan-3-one

MOG

MOG
Name:	5-AMINO-2-METHYL-6H-OXAZOLO[5,4-D]PYRIMIDIN-7-ONE
Formula:	C6 H6 N4 O2
SMILES:	O=C2NC(=Nc1oc(nc12)C)N
InChi:	InChI=1S/C6H6N4O2/c1-2-8-3-4(11)9-6(7)10-5(3)12-2/h1H3,(H3,7,9,10,11)
Synonyms:	8-METHYL-9-OXOGUANINE
Definition date:	2001-05-09
Last modified:	2021-03-01
Identifier:	5-amino-2-methyl[1,3]oxazolo[5,4-d]pyrimidin-7(6H)-one

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數據於2024-07-17公開中

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