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ZPH

ZPH
Name:	methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate
Formula:	C15 H24 N O5 P
SMILES:	O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1
InChi:	InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1
Synonyms:	LP(0)PHEOMe
Definition date:	2010-10-22
Last modified:	2021-03-01
Identifier:	methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate

ZPR

ZPR
Name:	N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL
Formula:	C18 H22 N2 O4
SMILES:	O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
InChi:	InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
Synonyms:	Z-PRO-PROLINAL
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	benzyl (2S)-2-{[(2S)-2-formylpyrrolidin-1-yl]carbonyl}pyrrolidine-1-carboxylate

QV8

QV8
Name:	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid
Formula:	C20 H13 N O5 S
SMILES:	O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4
InChi:	InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26)
Synonyms:	Acid blue 25
Definition date:	2011-03-04
Last modified:	2021-03-01
Identifier:	9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid

KBF

KBF
Name:	3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide
Formula:	C16 H17 N O3
SMILES:	Oc1cc2ccccc2cc1C(=O)NC[CH]3CCCO3
InChi:	InChI=1S/C16H17NO3/c18-15-9-12-5-2-1-4-11(12)8-14(15)16(19)17-10-13-6-3-7-20-13/h1-2,4-5,8-9,13,18H,3,6-7,10H2,(H,17,19)/t13-/m1/s1
Synonyms:	3-hydroxy-N-(tetrahydrofuran-2-ylmethyl)naphthalene-2-carboxamide
Definition date:	2018-02-22
Last modified:	2021-03-01
Release date:	2018-09-12
Identifier:	3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide

SWH

SWH
Name:	{4-[(4-{(Z)-[3-(4-FLUOROBENZYL)-2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENOXY)METHYL]PHENYL}(TRIHYDROXY)BORATE(1-)
Formula:	C24 H20 B F N O6 S
SMILES:	O=C1S/C(C(=O)N1Cc2ccc(F)cc2)=Cc4ccc(OCc3ccc(cc3)[B-](O)(O)O)cc4
InChi:	InChI=1S/C24H20BFNO6S/c26-20-9-3-17(4-10-20)14-27-23(28)22(34-24(27)29)13-16-5-11-21(12-6-16)33-15-18-1-7-19(8-2-18)25(30,31)32/h1-13,30-32H,14-15H2/q-1/b22-13-
Synonyms:	HA155 INHIBITOR
Definition date:	2010-09-14
Last modified:	2021-03-01
Identifier:	{4-[(4-{(Z)-[3-(4-fluorobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]phenyl}(trihydroxy)borate(1-)

WR7

WR7
Name:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
Formula:	C13 H14 Cl3 N7 O4
SMILES:	ClC(Cl)(Cl)C(Nc1ncccn1)NC(=O)OCCn2c(cnc2C)[N+]([O-])=O
InChi:	InChI=1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)/t10-/m1/s1
Synonyms:	apcin
Definition date:	2013-10-22
Last modified:	2021-03-01
Release date:	2014-08-20
Identifier:	2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate

QVV

QVV
Name:	benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate
Formula:	C23 H25 N9 O5
SMILES:	CC(C)(NC(OCc1ccccc1)=O)C2=NC(=C(C(N2)=O)O)C(NCCn4c3ncnc(c3nc4)N)=O
InChi:	InChI=1S/C23H25N9O5/c1-23(2,31-22(36)37-10-13-6-4-3-5-7-13)21-29-14(16(33)20(35)30-21)19(34)25-8-9-32-12-28-15-17(24)26-11-27-18(15)32/h3-7,11-12,33H,8-10H2,1-2H3,(H,25,34)(H,31,36)(H2,24,26,27)(H,29,30,35)
Synonyms:	SJ000988248
Definition date:	2020-01-02
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

Z70

Z70
Name:	(2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid
Formula:	C7 H12 N4 O2
SMILES:	O=C(O)C(N)CCc1cnc(N)n1
InChi:	InChI=1S/C7H12N4O2/c8-5(6(12)13)2-1-4-3-10-7(9)11-4/h3,5H,1-2,8H2,(H,12,13)(H3,9,10,11)/t5-/m0/s1
Synonyms:	2-aminohomohistidine
Definition date:	2010-04-08
Last modified:	2021-03-01
Identifier:	(2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid

L69

L69
Name:	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid
Formula:	C8 H12 O8 P2
SMILES:	CC(Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O
InChi:	InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
Synonyms:	L-690330
Definition date:	2018-05-16
Last modified:	2021-03-01
Release date:	2018-10-17
Identifier:	[1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid

GZR

GZR
Name:	1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
Formula:	C25 H26 F N3 O2
SMILES:	COc1cc(ccc1n2cnc(C)c2)C=C3CCCN([CH](C)c4ccc(F)cc4)C3=O
InChi:	InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
Synonyms:	E-2012
Definition date:	2020-10-15
Last modified:	2021-03-01
Release date:	2021-01-27
Identifier:	1-[(1~{S})-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one

Z
Name:	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Formula:	C9 H13 N2 O7 P
SMILES:	O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1
Synonyms:	2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE
Definition date:	2002-09-09
Last modified:	2021-03-01
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one

NZZ

NZZ
Name:	(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Formula:	C10 H18 O
SMILES:	C/C(C)=C/CCC(C)=[C@H]CO
InChi:	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
Synonyms:	nerol
Definition date:	2019-06-27
Last modified:	2021-03-01
Release date:	2020-07-01
Identifier:	(2Z)-3,7-dimethylocta-2,6-dien-1-ol

N7I

N7I
Name:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
Formula:	C10 H12 O3
SMILES:	Oc1ccc(cc1OC)/C=C/CO
InChi:	InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
Synonyms:	Coniferyl alcohol
Definition date:	2010-06-02
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol

VTG

VTG
Name:	(4-methylphenyl)methanol
Formula:	C8 H10 O
SMILES:	c1(ccc(cc1)C)CO
InChi:	InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
Synonyms:	4-methylbenzyl alcohol
Definition date:	2020-09-11
Last modified:	2021-03-01
Release date:	2020-09-23
Identifier:	(4-methylphenyl)methanol

X8W

X8W
Name:	(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Formula:	C15 H12 O5
SMILES:	O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2
InChi:	InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H
Synonyms:	NARINGENIN CHALCONE
Definition date:	2014-04-24
Last modified:	2021-03-01
Release date:	2015-04-08
Identifier:	(2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one

N7P

N7P
Name:	1-ACETYL-L-PROLINE
Formula:	C7 H11 N O3
SMILES:	OC(=O)C1N(C(=O)C)CCC1
InChi:	InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
Synonyms:	N-ACETYLPROLINE
Definition date:	2003-02-21
Last modified:	2021-03-01
Identifier:	1-acetyl-L-proline

MEM

MEM
Name:	(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Formula:	C17 H25 N3 O5 S
SMILES:	O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3
InChi:	InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1
Synonyms:	Meropenem (closed form)
Definition date:	2012-04-30
Last modified:	2021-03-01
Identifier:	(4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

YOL

YOL
Name:	[[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Formula:	C21 H14 Fe N2 O4
SMILES:	O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6
InChi:	InChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25
Synonyms:	SALOPHEN-10-CARBOXYLATE IRON CHELATE
Definition date:	2005-03-09
Last modified:	2021-03-01
Identifier:	[3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)benzoato(2-)]iron(2+)

YOM

YOM
Name:	2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON
Formula:	C20 H14 Fe N2 O2
SMILES:	O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6
InChi:	InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24
Synonyms:	SALOPHEN IRON CHELATE
Definition date:	2005-03-15
Last modified:	2021-03-01
Identifier:	[2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+)

WA1

WA1
Name:	1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea
Formula:	C9 H8 N4 O S
SMILES:	O=C(Nc1ccccc1)Nc2snnc2
InChi:	InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
Synonyms:	THIDIAZURON
Definition date:	2011-07-29
Last modified:	2021-03-01
Identifier:	1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea

WSK

WSK
Name:	(2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL
Formula:	C17 H18 Br2 N2 O
SMILES:	Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C
InChi:	InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1
Synonyms:	(S)-WISKOSTATIN
Definition date:	2004-06-01
Last modified:	2021-03-01
Identifier:	(2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol

XPG

XPG
Name:	7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
Formula:	C20 H34 O5
SMILES:	O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC
InChi:	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
Synonyms:	Prostaglandin E1
Definition date:	2013-09-17
Last modified:	2021-03-01
Release date:	2014-09-10
Identifier:	(11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid

WAD

WAD
Name:	(10R)-10-hydroxyoctadecanoic acid
Formula:	C18 H36 O3
SMILES:	C(CCCCC(CCCCCCCCC(O)=O)O)CCC
InChi:	InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
Synonyms:	(R)-10-Hydroxystearic acid
Definition date:	2020-10-05
Last modified:	2021-03-01
Release date:	2021-01-06
Identifier:	(10R)-10-hydroxyoctadecanoic acid

L7O

L7O
Name:	N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide
Formula:	C22 H24 N6 O2
SMILES:	O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4
InChi:	InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27)
Synonyms:	3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one
Definition date:	2011-05-26
Last modified:	2021-03-01
Identifier:	N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide

S4E

S4E
Name:	N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine
Formula:	C24 H30 N6 O3
SMILES:	COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5
InChi:	InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30)
Synonyms:	~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine
Definition date:	2020-11-06
Last modified:	2021-03-01
Release date:	2021-03-03
Identifier:	~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine

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