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MS4

MS4
Name:	3-CHLORO-2'-CYANO-5'-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BIPHENYL-4-YL SULFAMATE
Formula:	C16 H12 Cl N5 O3 S
SMILES:	O=S(=O)(Oc3ccc(c1cc(ccc1C#N)Cn2ncnc2)cc3Cl)N
InChi:	InChI=1S/C16H12ClN5O3S/c17-15-6-12(3-4-16(15)25-26(19,23)24)14-5-11(1-2-13(14)7-18)8-22-10-20-9-21-22/h1-6,9-10H,8H2,(H2,19,23,24)
Synonyms:	5'-((1H-1,2,4-triazol-1-yl)methyl)-3-chloro-2'-cyanobiphenyl-4-yl sulfamate
Definition date:	2009-03-19
Last modified:	2020-06-17
Identifier:	3-chloro-2'-cyano-5'-(1H-1,2,4-triazol-1-ylmethyl)biphenyl-4-yl sulfamate

MS5

MS5
Name:	7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate
Formula:	C18 H22 N2 O5 S
SMILES:	O=S(=O)(Oc1c(OC)cc2c(c1)CCN(C2)Cc3cccc(OC)c3)N
InChi:	InChI=1S/C18H22N2O5S/c1-23-16-5-3-4-13(8-16)11-20-7-6-14-9-18(25-26(19,21)22)17(24-2)10-15(14)12-20/h3-5,8-10H,6-7,11-12H2,1-2H3,(H2,19,21,22)
Synonyms:	2-(3-methoxybenzyl)-6-O-sulfamoyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
Definition date:	2009-03-19
Last modified:	2020-06-17
Identifier:	7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate

787

787
Name:	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID
Formula:	C7 H10 O6 P2
SMILES:	O=P(O)(O)C(c1ccccc1)P(=O)(O)O
InChi:	InChI=1S/C7H10O6P2/c8-14(9,10)7(15(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
Synonyms:	RU78783
Definition date:	2003-06-20
Last modified:	2020-06-17
Identifier:	(phenylmethanediyl)bis(phosphonic acid)

MTK

MTK
Name:	MONTELUKAST
Formula:	C35 H36 Cl N O3 S
SMILES:	CC(C)(O)c1ccccc1CC[CH](SCC2(CC2)CC(O)=O)c3cccc(C=Cc4ccc5ccc(Cl)cc5n4)c3
InChi:	InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
Synonyms:	2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl] cyclopropyl]ethanoic acid
Definition date:	2006-10-26
Last modified:	2020-06-17
Identifier:	2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]ethanoic acid

790

790
Name:	1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE
Formula:	C9 H12 N O4 P
SMILES:	O=P(O)(O)Oc1cccc2c1NCCC2
InChi:	InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)
Synonyms:	RU79073
Definition date:	2003-06-20
Last modified:	2020-06-17
Identifier:	1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate

796

796
Name:	N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE
Formula:	C19 H19 Cl2 N5 O S
SMILES:	O=C(c2sc(c1nc(ncc1)NC)cc2)NC(Cc3ccc(Cl)cc3Cl)CN
InChi:	InChI=1S/C19H19Cl2N5OS/c1-23-19-24-7-6-15(26-19)16-4-5-17(28-16)18(27)25-13(10-22)8-11-2-3-12(20)9-14(11)21/h2-7,9,13H,8,10,22H2,1H3,(H,25,27)(H,23,24,26)/t13-/m0/s1
Synonyms:	NOVARTIS 273796
Definition date:	2006-05-23
Last modified:	2020-06-17
Identifier:	N-[(1S)-2-amino-1-(2,4-dichlorobenzyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

MUD

MUD
Name:	N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid
Formula:	C10 H16 N2 O7 S
SMILES:	O=C(O)C(NC(=O)NC(C(=O)O)CCC(=O)O)CSC
InChi:	InChI=1S/C10H16N2O7S/c1-20-4-6(9(17)18)12-10(19)11-5(8(15)16)2-3-7(13)14/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H2,11,12,19)/t5-,6-/m0/s1
Synonyms:	(S)-2-(3-((R)-1-carboxy-2-methylthio)ethyl)ureido)pentanedioic acid
Definition date:	2008-06-05
Last modified:	2020-06-17
Identifier:	N-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-L-glutamic acid

MUL

MUL
Name:	TIAMULIN
Formula:	C28 H47 N O4 S
SMILES:	O=C2CCC13C(C(O)C(C=C)(C)CC(OC(=O)CSCCN(CC)CC)C(C(CC1)C)(C)C23)C
InChi:	InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
Synonyms:	(4R,5S,6S,8R,9AR,10R)-5-HYDROXY-4,6,9,10-TETRAMETHYL-1-OXO-6-VINYLDECAHYDRO-3A,9-PROPANOCYCLOPENTA[8]ANNULEN-8-YL {[2-(DIETHYLAMINO)ETHYL]SULFANYL}ACETATE
Definition date:	2004-09-07
Last modified:	2020-06-17
Identifier:	(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl {[2-(diethylamino)ethyl]sulfanyl}acetate

79V

79V
Name:	(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
Formula:	C17 H15 F N2 O
SMILES:	C(C1NC(C#N)C1c3ccc(c2c(cccc2)F)cc3)O
InChi:	InChI=1S/C17H15FN2O/c18-14-4-2-1-3-13(14)11-5-7-12(8-6-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17-/m0/s1
Synonyms:	BRD4592
Definition date:	2016-09-19
Last modified:	2020-06-17
Release date:	2017-05-31
Identifier:	(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile

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

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

7AT

7AT
Name:	1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C12 H15 N8 O7 P
SMILES:	O=P(O)(O)OCC4OC(n2nc(c1c(ncnc12)N)c3cnnn3)C(O)C4O
InChi:	InChI=1S/C12H15N8O7P/c13-10-6-7(4-1-16-19-17-4)18-20(11(6)15-3-14-10)12-9(22)8(21)5(27-12)2-26-28(23,24)25/h1,3,5,8-9,12,21-22H,2H2,(H2,13,14,15)(H,16,17,19)(H2,23,24,25)/t5-,8-,9-,12-/m1/s1
Synonyms:	7-triazolyl-8-aza-7-deazaadenosine
Definition date:	2013-11-22
Last modified:	2020-06-17
Release date:	2014-07-02
Identifier:	1-(5-O-phosphono-beta-D-ribofuranosyl)-3-(1H-1,2,3-triazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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

7AY

7AY
Name:	5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile
Formula:	C24 H18 Cl N3 O4
SMILES:	c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)Cl
InChi:	InChI=1S/C24H18ClN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)
Synonyms:	JLJ651
Definition date:	2016-09-26
Last modified:	2020-06-17
Release date:	2017-01-11
Identifier:	5-chloro-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile

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

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

7D3

7D3
Name:	[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate
Formula:	C10 H15 N5 O9 P2
SMILES:	c1nc(c2c(n1)n(cn2)C3C(C(O3)COP(OP(O)(=O)O)(O)=O)CO)N
InChi:	InChI=1S/C10H15N5O9P2/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(23-10)2-22-26(20,21)24-25(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6-,10-/m1/s1
Synonyms:	oxetanocin A diphosphate
Definition date:	2016-10-07
Last modified:	2020-06-17
Release date:	2016-11-23
Identifier:	[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate

7D7

7D7
Name:	[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol
Formula:	C10 H13 N5 O3
SMILES:	O1C(C(C1CO)CO)n2c3c(nc2)c(N)ncn3
InChi:	InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1
Synonyms:	OXETANOCIN
Definition date:	2016-10-07
Last modified:	2020-06-17
Release date:	2016-11-16
Identifier:	[(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol

7DF

7DF
Name:	Dihydropentalenolactone F
Formula:	C15 H20 O5
SMILES:	C1C4C3(CC1(C)C)C2(OC2)C(=O)OCC3C(C(O)=O)C4
InChi:	InChI=1S/C15H20O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+,14-,15-/m1/s1
Synonyms:	(2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid
Definition date:	2016-08-04
Last modified:	2020-06-17
Release date:	2016-09-14
Identifier:	(2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid

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

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

7DK

7DK
Name:	METHYL ((15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]N ONADECA-1(18),2,4,6,16(19)-PENTAEN-5-YL)CARBAMATE
Formula:	C28 H28 Cl N9 O4
SMILES:	[C@H](=CC(=O)NC2c3nc(c1ccc(NC(OC)=O)cc1NC(CCCCC2)=O)cn3)c4cc(Cl)ccc4n5nnnc5
InChi:	InChI=1S/C28H28ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h7-16,21H,2-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b12-7+/t21-/m0/s1
Synonyms:	methyl [(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azen o)-1,10-benzodiazacyclotetradecin-15-yl]carbamate
Definition date:	2016-10-10
Last modified:	2020-06-17
Release date:	2017-03-01
Identifier:	methyl [(8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate

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