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MV2

MV2
Name:	(2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
Formula:	C9 H19 N O4
SMILES:	O=C(NCCCO)C(O)C(C)(C)CO
InChi:	InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1
Synonyms:	L-Pantothenol
Definition date:	2011-03-15
Last modified:	2020-06-17
Identifier:	(2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide

07J

07J
Name:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
Formula:	C26 H31 Cl2 N7 O3
SMILES:	Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc4ccc(N3CCN(CC)CC3)cc4)C
InChi:	InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
Synonyms:	BGJ398
Definition date:	2011-09-27
Last modified:	2020-06-17
Identifier:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea

07P

07P
Name:	N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
Formula:	C55 H107 N O8
SMILES:	O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCCC2CC2CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C55H107NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-34-38-42-51(59)56-48(45-63-55-54(62)53(61)52(60)50(44-57)64-55)49(58)41-37-33-30-32-36-40-47-43-46(47)39-35-31-28-12-10-8-6-4-2/h46-50,52-55,57-58,60-62H,3-45H2,1-2H3,(H,56,59)/t46-,47-,48+,49-,50-,52+,53+,54-,55+/m1/s1
Synonyms:	SMC124
Definition date:	2011-10-03
Last modified:	2020-06-17
Identifier:	N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide

MVD

MVD
Name:	2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3
Formula:	C28 H46 O3
SMILES:	OC3C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C)=C
InChi:	InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1
Synonyms:	9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E)
Definition date:	2006-06-20
Last modified:	2020-06-17
Identifier:	(1S,2S,3R,5Z,7E,14beta,17alpha)-2-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol

07V

07V
Name:	(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
Formula:	C10 H14 O
SMILES:	O=C1C(=CCC(C(=C)C)C1)C
InChi:	InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
Synonyms:	R-carvone
Definition date:	2011-10-07
Last modified:	2020-06-17
Release date:	2012-09-21
Identifier:	(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one

MVL

MVL
Name:	(5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
Formula:	C8 H12 N2 O4
SMILES:	n1ccn2c1C(O)C(O)C(O)C2CO
InChi:	InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1
Synonyms:	Mannoimidazole
Definition date:	2008-01-25
Last modified:	2020-06-17
Identifier:	(5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

085

085
Name:	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
Formula:	C22 H16 N4 O3
SMILES:	O=C(N)c1ccc(cc1)c5nc(c2ncccc2)c(c3ccc4OCOc4c3)n5
InChi:	InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
Synonyms:	SB431542
Definition date:	2011-10-11
Last modified:	2020-06-17
Identifier:	4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide

08H

08H
Name:	8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Formula:	C17 H13 Cl N4
SMILES:	Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4
InChi:	InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
Synonyms:	ALPRAZOLAM
Definition date:	2011-10-13
Last modified:	2020-06-17
Identifier:	8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

08J

08J
Name:	8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
Formula:	C18 H13 Cl F N3
SMILES:	Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C
InChi:	InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
Synonyms:	Midazolam
Definition date:	2011-10-13
Last modified:	2020-06-17
Identifier:	8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

093

093
Name:	N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE
Formula:	C14 H16 Cl N3 O4 S2
SMILES:	O=C(N=C1/SC(=C(N1)C)c2ccc(Cl)c(c2)S(=O)(=O)NCCO)C
InChi:	InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
Synonyms:	PIK-93
Definition date:	2006-03-16
Last modified:	2020-06-17
Identifier:	N-[(2Z)-5-{4-chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2(3H)-ylidene]acetamide

MWP

MWP
Name:	1-benzothiophen-6-amine 1,1-dioxide
Formula:	C8 H7 N O2 S
SMILES:	O=S2(=O)c1cc(ccc1C=C2)N
InChi:	InChI=1S/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2
Synonyms:	6-amino-benzothiophene-1,1-dione
Definition date:	2012-03-28
Last modified:	2020-06-17
Release date:	2013-01-25
Identifier:	1-benzothiophen-6-amine 1,1-dioxide

09C

09C
Name:	(3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one
Formula:	C20 H16 Br2 N4 O
SMILES:	Brc1cc2c(cc1)c(cn2)C5C(=O)NCC(c3cnc4cc(Br)ccc34)N5
InChi:	InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1
Synonyms:	cis-3,4-dihydrohamacanthin B
Definition date:	2011-07-26
Last modified:	2020-06-17
Identifier:	(3S,5R)-3,5-bis(6-bromo-1H-indol-3-yl)piperazin-2-one

MXD

MXD
Name:	6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE
Formula:	C9 H15 N5 O
SMILES:	[O-][n+]1c(nc(cc1N)N2CCCCC2)N
InChi:	InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
Synonyms:	MINOXIDIL
Definition date:	2005-11-11
Last modified:	2020-06-17
Identifier:	6-piperidin-1-ylpyrimidine-2,4-diamine 3-oxide

MXM

MXM
Name:	4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Formula:	C14 H13 N3 O4 S2
SMILES:	O=C(Nc1ncc(s1)C)C3=C(O)c2ccccc2S(=O)(=O)N3C
InChi:	InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
Synonyms:	Meloxicam
Definition date:	2013-08-09
Last modified:	2020-06-17
Release date:	2014-01-22
Identifier:	4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide

MXN

MXN
Name:	(2R)-hydroxy(phenyl)ethanenitrile
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-/m0/s1
Synonyms:	(R)-mandelonitrile
Definition date:	2009-02-26
Last modified:	2020-06-17
Identifier:	(2R)-hydroxy(phenyl)ethanenitrile

MXP

MXP
Name:	Myxopyronin B
Formula:	C23 H31 N O6
SMILES:	O=C(C1=C(O)C=C(OC1=O)CCCC=CNC(=O)OC)C(=CC=C(/C)CCCC)C
InChi:	InChI=1S/C23H31NO6/c1-5-6-10-16(2)12-13-17(3)21(26)20-19(25)15-18(30-22(20)27)11-8-7-9-14-24-23(28)29-4/h9,12-15,25H,5-8,10-11H2,1-4H3,(H,24,28)/b14-9+,16-12+,17-13+
Synonyms:	methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
Definition date:	2008-10-16
Last modified:	2020-06-17
Identifier:	methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate

MYC

MYC
Name:	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Formula:	C15 H10 O8
SMILES:	O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)cc3O
InChi:	InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
Synonyms:	2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Definition date:	2000-10-04
Last modified:	2020-06-17
Identifier:	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

0AS

0AS
Name:	asiatic acid
Formula:	C30 H48 O5
SMILES:	O=C(O)C54C(C3=CCC1C(CCC2C1(C)CC(O)C(O)C2(C)CO)(C)C3(C)CC4)C(C)C(C)CC5
InChi:	InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
Synonyms:	(2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid
Definition date:	2007-08-06
Last modified:	2020-06-17
Identifier:	(2alpha,3beta,5beta,20beta)-2,3,23-trihydroxyurs-12-en-28-oic acid

MYD

MYD
Name:	{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER
Formula:	C23 H29 N5 O13 P2
SMILES:	O=C5OCc1c5c(O)c(c(OC)c1C)CCOP(=O)(O)CP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1
Synonyms:	C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE
Definition date:	2002-12-20
Last modified:	2020-06-17
Identifier:	5'-O-[(R)-hydroxy({(S)-hydroxy[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)ethoxy]phosphoryl}methyl)phosphoryl]adenosine

MYF

MYF
Name:	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Formula:	C15 H10 O7
SMILES:	O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc3O
InChi:	InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
Synonyms:	2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Definition date:	2006-12-22
Last modified:	2020-06-17
Identifier:	5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

MYI

MYI
Name:	(5-methoxy-1H-indol-3-yl)acetic acid
Formula:	C11 H11 N O3
SMILES:	COc1ccc2[nH]cc(CC(O)=O)c2c1
InChi:	InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
Synonyms:	5-methoxy-indole acetate
Definition date:	2010-02-08
Last modified:	2020-06-17
Identifier:	2-(5-methoxy-1H-indol-3-yl)ethanoic acid

MYU

MYU
Name:	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Formula:	C15 H10 O8
SMILES:	O=C1c3c(O)c(O)c(O)cc3OC(=C1O)c2ccc(O)c(O)c2
InChi:	InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
Synonyms:	2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE
Definition date:	2007-07-10
Last modified:	2020-06-17
Identifier:	2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one

MYX

MYX
Name:	(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E
Formula:	C25 H33 N3 O3 S2
SMILES:	O=C(N)C=C(OC)C(C)C(OC)/C=C/c1nc(sc1)c2nc(sc2)C(C=CC=CC(C)C)C
InChi:	InChI=1S/C25H33N3O3S2/c1-16(2)9-7-8-10-17(3)24-28-20(15-33-24)25-27-19(14-32-25)11-12-21(30-5)18(4)22(31-6)13-23(26)29/h7-18,21H,1-6H3,(H2,26,29)/b9-7+,10-8+,12-11+,22-13+/t17-,18+,21-/m0/s1
Synonyms:	7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE
Definition date:	2004-03-29
Last modified:	2020-06-17
Identifier:	(2E,4R,5S,6E)-7-{2'-[(1S,2E,4E)-1,6-dimethylhepta-2,4-dien-1-yl]-2,4'-bi-1,3-thiazol-4-yl}-3,5-dimethoxy-4-methylhepta-2,6-dienamide

0BD

0BD
Name:	3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside
Formula:	C21 H40 O11
SMILES:	CC(C)CC(CC(C)C)O[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H40O11/c1-9(2)5-11(6-10(3)4)29-20-18(28)16(26)19(13(8-23)31-20)32-21-17(27)15(25)14(24)12(7-22)30-21/h9-28H,5-8H2,1-4H3/t12-,13+,14+,15-,16+,17-,18+,19+,20+,21+/m0/s1
Synonyms:	2,6-dimethyl-4-heptyl 4-O-methyl-beta-D-glucopyranoside
Definition date:	2009-01-20
Last modified:	2020-06-17
Identifier:	(2R,3S,4S,5S,6S)-2-[(2R,3S,4R,5R,6R)-6-(2,6-dimethylheptan-4-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

MZ0

MZ0
Name:	1H-imidazol-5-ylmethanol
Formula:	C4 H6 N2 O
SMILES:	OCc1cncn1
InChi:	InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
Synonyms:	4(5)-(hydroxymethyl)imidazole
Definition date:	2012-10-26
Last modified:	2020-06-17
Release date:	2013-10-23
Identifier:	1H-imidazol-5-ylmethanol

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