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9HF

9HF
Name:	1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
Formula:	C22 H25 N3 O2
SMILES:	Cc1cc2c(cc1n3nnc4cc(ccc34)C(O)=O)C(C)(C)CCC2(C)C
InChi:	InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27)
Synonyms:	1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid
Definition date:	2018-04-27
Last modified:	2020-06-17
Release date:	2019-02-27
Identifier:	1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid

9HL

9HL
Name:	N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine
Formula:	C19 H20 F N5
SMILES:	Fc1cccc(c1)C2CC2CNCCc3nc(ncc3)n4ccnc4
InChi:	InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2/t15-,18-/m0/s1
Synonyms:	2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)-N-(2-(3-FLUOROPHENYL)CYCLOPROPYLMETHYL)ETHAN-1-AMINE
Definition date:	2014-10-21
Last modified:	2020-06-17
Release date:	2014-12-24
Identifier:	N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine

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

9HU

9HU
Name:	2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate
Formula:	C22 H15 N O8 S
SMILES:	c1ccc2c(c1)C(c3c(C2=O)cc(c(c3O)O)NS(=O)(c4c(cccc4)OC(=O)C)=O)=O
InChi:	InChI=1S/C22H15NO8S/c1-11(24)31-16-8-4-5-9-17(16)32(29,30)23-15-10-14-18(22(28)21(15)27)20(26)13-7-3-2-6-12(13)19(14)25/h2-10,23,27-28H,1H3
Synonyms:	2-(N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl)phenyl acetate
Definition date:	2018-04-30
Last modified:	2020-06-17
Release date:	2019-05-01
Identifier:	2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate

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

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

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

MZJ

MZJ
Name:	1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one
Formula:	C25 H27 N5 O2
SMILES:	n1c(c(c(nc1)N)c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C)CC4
InChi:	InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
Synonyms:	Evobrutinib
Definition date:	2019-04-24
Last modified:	2020-06-17
Release date:	2019-08-14
Identifier:	1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one

MZR

MZR
Name:	5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
Formula:	C9 H13 N3 O6
SMILES:	O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/m1/s1
Synonyms:	Mizoribine
Definition date:	2011-07-12
Last modified:	2020-06-17
Identifier:	5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide

MZY

MZY
Name:	1,3-dihydroimidazole-2-thione
Formula:	C3 H4 N2 S
SMILES:	S=C1NC=CN1
InChi:	InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
Synonyms:	2-Mercaptoimidazole
Definition date:	2016-05-12
Last modified:	2020-06-17
Release date:	2016-06-01
Identifier:	1,3-dihydroimidazole-2-thione

9KL

9KL
Name:	(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid
Formula:	C16 H14 O3
SMILES:	c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2
InChi:	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
Synonyms:	Dexketoprofen
Definition date:	2018-05-21
Last modified:	2020-06-17
Release date:	2019-03-13
Identifier:	(2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid

9KU

9KU
Name:	5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
Formula:	C21 H19 N3 O6
SMILES:	C4(NC(C1CCCN1C(=O)COc3cccc2ccccc23)=NC(=C4O)C(O)=O)=O
InChi:	InChI=1S/C21H19N3O6/c25-16(11-30-15-9-3-6-12-5-1-2-7-13(12)15)24-10-4-8-14(24)19-22-17(21(28)29)18(26)20(27)23-19/h1-3,5-7,9,14,26H,4,8,10-11H2,(H,28,29)(H,22,23,27)/t14-/m0/s1
Synonyms:	SRI-29789
Definition date:	2017-07-11
Last modified:	2020-06-17
Release date:	2018-01-03
Identifier:	5-hydroxy-2-[(2S)-1-{[(naphthalen-1-yl)oxy]acetyl}pyrrolidin-2-yl]-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid

N11

N11
Name:	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol
Formula:	C12 H15 N3 O4 S
SMILES:	[O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12
InChi:	InChI=1S/C12H15N3O4S/c16-7-3-1-2-4-8-20-10-6-5-9(15(17)18)11-12(10)14-19-13-11/h5-6,16H,1-4,7-8H2
Synonyms:	6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol
Definition date:	2009-04-08
Last modified:	2020-06-17
Identifier:	6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol

N1S

N1S
Name:	(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
Formula:	C15 H26 O
SMILES:	CC(=CCCC(=CCCC(=C/CO)C)C)C
InChi:	InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-
Synonyms:	cis,trans-Farnesol
Definition date:	2019-04-29
Last modified:	2020-06-17
Release date:	2019-05-08
Identifier:	(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol

N34

N34
Name:	N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide
Formula:	C21 H29 N5 O6 S2
SMILES:	O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4N(N(C3=O)CCC(C)(C)C)CCC4)C
InChi:	InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,23,27H,5-6,9-11H2,1-4H3,(H,22,24)/t15-/m0/s1
Synonyms:	N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1, 2,4-benzothiadiazin-7-yl}methanesulfonamide
Definition date:	2008-05-01
Last modified:	2020-06-17
Identifier:	N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide

N3A

N3A
Name:	2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid
Formula:	C24 H27 N O7
SMILES:	O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C=CC32C/C(=C)C(CC2O)CC34)C
InChi:	InChI=1S/C24H27NO7/c1-12-11-24-8-5-17(27)23(2,16(24)9-13(12)10-18(24)28)7-6-19(29)25-20-15(26)4-3-14(21(20)30)22(31)32/h3-5,8,13,16,18,26,28,30H,1,6-7,9-11H2,2H3,(H,25,29)(H,31,32)/t13-,16+,18-,23+,24+/m1/s1
Synonyms:	Platencin A1
Definition date:	2009-06-03
Last modified:	2020-06-17
Identifier:	2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid

9OD

9OD
Name:	(2Z)-9-oxodec-2-enoic acid
Formula:	C10 H16 O3
SMILES:	O=C(C)CCCCC/C=CC(=O)O
InChi:	InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-
Synonyms:	9-keto-2(E)-decenoic acid
Definition date:	2007-11-27
Last modified:	2020-06-17
Identifier:	(2Z)-9-oxodec-2-enoic acid

N4P

N4P
Name:	N,N-bis(3-aminopropyl)butane-1,4-diamine
Formula:	C10 H26 N4
SMILES:	NCCCCN(CCCN)CCCN
InChi:	InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2
Synonyms:	N4-aminopropylspermidine
Definition date:	2016-02-26
Last modified:	2020-06-17
Release date:	2018-08-15
Identifier:	~{N}',~{N}'-bis(3-azanylpropyl)butane-1,4-diamine

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