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UND

UND
Name:	UNDECANE
Formula:	C11 H24
SMILES:	C(CCCCCCCC)CC
InChi:	InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
Synonyms:	LIPID FRAGMENT
Definition date:	1999-09-17
Last modified:	2021-03-01
Identifier:	undecane

HM6

HM6
Name:	4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid
Formula:	C10 H8 N4 O5
SMILES:	O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O
InChi:	InChI=1S/C10H8N4O5/c15-4-5-3-14(13-12-5)6-1-7(9(16)17)11-8(2-6)10(18)19/h1-3,15H,4H2,(H,16,17)(H,18,19)
Synonyms:	HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID
Definition date:	2012-09-13
Last modified:	2021-03-01
Release date:	2012-11-09
Identifier:	4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyridine-2,6-dicarboxylic acid

RFE

RFE
Name:	L-Methionine Tenofovir
Formula:	C14 H23 N6 O5 P S
SMILES:	CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)ncnc12)C(O)=O
InChi:	InChI=1S/C14H23N6O5PS/c1-9(5-20-7-18-11-12(15)16-6-17-13(11)20)25-8-26(23,24)19-10(14(21)22)3-4-27-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,15,16,17)(H2,19,23,24)/t9-,10+/m1/s1
Synonyms:	(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid
Definition date:	2020-09-28
Last modified:	2021-03-01
Release date:	2021-01-13
Identifier:	(2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid

VH2

VH2
Name:	N-[5-[(4-BROMOPHENYL)METHYL]-4-HYDROXY-1,3-THIAZOL-2-YL]NAPHTHALENE-1-SULFONAMIDE
Formula:	C20 H15 Br N2 O3 S2
SMILES:	Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4
InChi:	InChI=1S/C20H15BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,24H,12H2,(H,22,23)
Synonyms:	PITSTOP 2
Definition date:	2010-11-25
Last modified:	2021-03-01
Identifier:	N-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide

HMD

HMD
Name:	4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE
Formula:	C11 H10 Br N5 O2
SMILES:	O=C1N=C(N=C1C3CCNC(=O)C2=NC(Br)=CC23)N
InChi:	InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-5H,1-2H2,(H,14,18)(H2,13,17,19)/t4-,5-/m0/s1
Synonyms:	HYMENIALDISINE
Definition date:	1999-12-16
Last modified:	2021-03-01
Identifier:	(3aR,4S)-4-(2-amino-4-oxo-4H-imidazol-5-yl)-2-bromo-4,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8(3aH)-one

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

RFX

RFX
Name:	(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Formula:	C17 H18 F3 N O
SMILES:	FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2
InChi:	InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
Synonyms:	Fluoxetine
Definition date:	2009-04-03
Last modified:	2021-03-01
Identifier:	(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

ZSP

ZSP
Name:	2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one
Formula:	C9 H11 N5 O3
SMILES:	O=C1C=2N=C(C(O)=C(O)C)CNC=2N=C(N)N1
InChi:	InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3-
Synonyms:	Sepiapterin (enol-form)
Definition date:	2013-12-20
Last modified:	2021-03-01
Release date:	2014-07-16
Identifier:	2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one

ZAH

ZAH
Name:	N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE
Formula:	C16 H20 N2 O5
SMILES:	O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2
InChi:	InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1
Synonyms:	Z-ALA PROLINAL
Definition date:	2005-02-16
Last modified:	2021-03-01
Identifier:	N-[(benzyloxy)carbonyl]-L-alanyl-L-proline

V2A

V2A
Name:	neoseptin 3
Formula:	C29 H34 N2 O4
SMILES:	C(c1ccccc1)CC(C(OC(C)(C)C)=O)NC(=O)c2ccc(c(c2)CCc3ccc(cc3)O)N
InChi:	InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1
Synonyms:	tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate
Definition date:	2020-06-17
Last modified:	2021-03-01
Release date:	2020-07-01
Identifier:	tert-butyl (2S)-2-({4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzene-1-carbonyl}amino)-4-phenylbutanoate

V2H

V2H
Name:	(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol
Formula:	C28 H44 O2
SMILES:	OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(/C=C/C(C)C(C)C)C)CCC12)CC(O)C3
InChi:	InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
Synonyms:	1-alpha-hydroxy-vitamin D2
Definition date:	2008-07-02
Last modified:	2021-03-01
Identifier:	(1S,3R,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-1,3-diol

HNJ

HNJ
Name:	3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione
Formula:	C17 H17 N3 O2 S
SMILES:	C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)(=O)N=4
InChi:	InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)
Synonyms:	(3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
Definition date:	2018-07-16
Last modified:	2021-03-01
Release date:	2019-02-13
Identifier:	3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione

HNK

HNK
Name:	5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Formula:	C10 H14 N2 O
SMILES:	n1cc(ccc1O)C2N(C)CCC2
InChi:	InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m1/s1
Synonyms:	6-hydroxy-D-nicotine
Definition date:	2010-06-17
Last modified:	2021-03-01
Identifier:	5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol

HNL

HNL
Name:	5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol
Formula:	C10 H14 N2 O
SMILES:	n1cc(ccc1O)C2N(C)CCC2
InChi:	InChI=1S/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)/t9-/m0/s1
Synonyms:	6-hydroxy-L-nicotine
Definition date:	2009-10-14
Last modified:	2021-03-01
Identifier:	5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol

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

ZD6

ZD6
Name:	Vandetanib
Formula:	C22 H24 Br F N4 O2
SMILES:	COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4
InChi:	InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
Synonyms:	ZD6474
Definition date:	2006-06-16
Last modified:	2021-03-01
Identifier:	~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

RHP

RHP
Name:	(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL
Formula:	C12 H13 N O
SMILES:	Oc1ccc2c(c1)C(NCC#C)CC2
InChi:	InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
Synonyms:	5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
Definition date:	2004-01-15
Last modified:	2021-03-01
Identifier:	(3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol

HOE

HOE
Name:	2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
Formula:	C25 H25 N6 O
SMILES:	Oc1ccc(cc1)c3nc2ccc(cc2n3)c6nc4c(cc(cc4)N5CC[NH+](CC5)C)n6
InChi:	InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,32H,10-13H2,1H3,(H,26,28)(H,27,29)/p+1
Synonyms:	HOECHST 33258
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	4-[2'-(4-hydroxyphenyl)-1H,3'H-2,5'-bibenzimidazol-6-yl]-1-methylpiperazin-1-ium

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

XMP

XMP
Name:	XANTHOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N4 O9 P
SMILES:	O=C3Nc1c([nH+]cn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N3
InChi:	InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6-,9-/m1/s1
Synonyms:	5-MONOPHOSPHATE-9-BETA-D-RIBOFURANOSYL XANTHINE
Definition date:	1999-07-12
Last modified:	2021-03-01
Identifier:	5'-xanthylic acid

HOP

HOP
Name:	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL
Formula:	C23 H27 N O4
SMILES:	O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)CC3O
InChi:	InChI=1S/C23H27NO4/c25-21-15-19(16-5-2-1-3-6-16)12-13-20(21)17-8-10-18(11-9-17)23(28)24-14-4-7-22(26)27/h1-3,5-6,8-11,19-21,25H,4,7,12-15H2,(H,24,28)(H,26,27)/t19-,20+,21-/m0/s1
Synonyms:	OXY-COPE-HAPTEN
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	4-[({4-[(1R,2S,4S)-2-hydroxy-4-phenylcyclohexyl]phenyl}carbonyl)amino]butanoic acid

V47

V47
Name:	9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine
Formula:	C19 H19 N5 O6
SMILES:	OC2C(CCC(=O)c1cccc(C(=O)O)c1)OC(C2O)n4cnc3c4ncnc3N
InChi:	InChI=1S/C19H19N5O6/c20-16-13-17(22-7-21-16)24(8-23-13)18-15(27)14(26)12(30-18)5-4-11(25)9-2-1-3-10(6-9)19(28)29/h1-3,6-8,12,14-15,18,26-27H,4-5H2,(H,28,29)(H2,20,21,22)/t12-,14-,15-,18-/m1/s1
Synonyms:	Aminofutalosine
Definition date:	2020-06-23
Last modified:	2021-03-01
Release date:	2020-07-15
Identifier:	9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine

ZEA

ZEA
Name:	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol
Formula:	C10 H13 N5 O
SMILES:	n2c1c(ncn1)c(nc2)NCC=C(/C)CO
InChi:	InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
Synonyms:	TRANS-ZEATIN
Definition date:	2004-06-23
Last modified:	2021-03-01
Identifier:	(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol

XN3

XN3
Name:	N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(BENZO[1,3]DIOXOL-5-YLMETHYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Formula:	C38 H48 N4 O6
SMILES:	O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc5ccc6OCOc6c5
InChi:	InChI=1S/C38H48N4O6/c1-38(2,3)40-37(46)31-23-41(21-26-13-14-33-34(18-26)48-24-47-33)15-16-42(31)22-29(43)19-28(17-25-9-5-4-6-10-25)36(45)39-35-30-12-8-7-11-27(30)20-32(35)44/h4-14,18,28-29,31-32,35,43-44H,15-17,19-24H2,1-3H3,(H,39,45)(H,40,46)/t28-,29+,31+,32-,35+/m1/s1
Synonyms:	ANALOGUE OF INDINAVIR DRUG
Definition date:	2001-11-02
Last modified:	2021-03-01
Identifier:	(2S)-4-(1,3-benzodioxol-5-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name)

UQA

UQA
Name:	5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Formula:	C12 H12 N2 O3
SMILES:	CCC1(C(NC(=O)NC1=O)=O)c2ccccc2
InChi:	InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
Synonyms:	Phenobarbital
Definition date:	2020-05-27
Last modified:	2021-03-01
Release date:	2020-09-09
Identifier:	5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione

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