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RBE

RBE
Name:	3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID
Formula:	C15 H17 N O4
SMILES:	[O-]C(=O)C3C1[NH2+]C(CC1)CC3OC(=O)c2ccccc2
InChi:	InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11+,12-,13+/m0/s1
Synonyms:	NOR-BENZOYLECGONINE
Definition date:	2003-11-20
Last modified:	2020-06-17
Identifier:	(1R,2R,3S,5S)-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane-2-carboxylate

RBV

RBV
Name:	1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide
Formula:	C8 H12 N4 O5
SMILES:	O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
Synonyms:	Ribavirin
Definition date:	2011-06-25
Last modified:	2020-06-17
Identifier:	1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide

1O2

1O2
Name:	(2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate
Formula:	C43 H80 O10
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-44,47-49H,3-16,19-35H2,1-2H3/b18-17-/t36-,37-,40+,41+,42-,43+/m1/s1
Synonyms:	1-oleoyl,2-palmitoyl-3-O(alpha-D-galactopyranosyl)-sn-glycerol
Definition date:	2009-08-10
Last modified:	2020-06-17
Identifier:	(2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate

1ON

1ON
Name:	2,3-dihydro-1H-inden-1-one
Formula:	C9 H8 O
SMILES:	O=C2c1ccccc1CC2
InChi:	InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
Synonyms:	1-indanone
Definition date:	2012-10-22
Last modified:	2020-06-17
Release date:	2013-10-30
Identifier:	2,3-dihydro-1H-inden-1-one

1PB

1PB
Name:	1,4-DIPHENYL-2-BUTENE
Formula:	C16 H16
SMILES:	C(=C/c1ccccc1)CCc2ccccc2
InChi:	InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+
Synonyms:	[(1E)-4-PHENYLBUT-1-ENYL]BENZENE
Definition date:	2003-07-08
Last modified:	2020-06-17
Identifier:	1,1'-(1E)-but-1-ene-1,4-diyldibenzene

1PC

1PC
Name:	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE
Formula:	C17 H25 N
SMILES:	c1ccccc1C3(N2CCCCC2)CCCCC3
InChi:	InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
Synonyms:	PHENCYCLIDINE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	1-(1-phenylcyclohexyl)piperidine

1PD

1PD
Name:	2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide
Formula:	C21 H22 N6 O6 S2
SMILES:	O=C4N(N=C(c1scnc1)C(O)=C4C3=Nc2c(cc(OCC(=O)N)cc2)S(=O)(=O)N3)CCC(C)C
InChi:	InChI=1S/C21H22N6O6S2/c1-11(2)5-6-27-21(30)17(19(29)18(25-27)14-8-23-10-34-14)20-24-13-4-3-12(33-9-16(22)28)7-15(13)35(31,32)26-20/h3-4,7-8,10-11,29H,5-6,9H2,1-2H3,(H2,22,28)(H,24,26)
Synonyms:	2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxo-2H-1,2,4-benzothiadi azin-7-yl}oxy)acetamide
Definition date:	2008-01-11
Last modified:	2020-06-17
Identifier:	2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)acetamide

1PT

1PT
Name:	CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II)
Formula:	C6 H14 N2 Pt
SMILES:	[Pt+2]1NC2C(N1)CCCC2
InChi:	InChI=1S/C6H14N2.Pt/c7-5-3-1-2-4-6(5)8
Synonyms:	OXALIPLATIN
Definition date:	2003-06-03
Last modified:	2020-06-17
Identifier:	(cyclohexane-1,2-diamine-kappa~2~N,N')platinum(2+)

Q82

Q82
Name:	{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS(4-HYDROXYMETHYL)METHYL]-4,7-BIS(PHENYLMETHYL) -2H-1,3-DIAZEPIN-2-YLIDENE]CYANAMIDE}
Formula:	C36 H38 N4 O4
SMILES:	N#CN=C1N(C(C(O)C(O)C(N1Cc2ccc(cc2)CO)Cc3ccccc3)Cc4ccccc4)Cc5ccc(cc5)CO
InChi:	InChI=1S/C36H38N4O4/c37-25-38-36-39(21-28-11-15-30(23-41)16-12-28)32(19-26-7-3-1-4-8-26)34(43)35(44)33(20-27-9-5-2-6-10-27)40(36)22-29-13-17-31(24-42)18-14-29/h1-18,32-35,41-44H,19-24H2/t32-,33-,34+,35+/m1/s1
Synonyms:	Q8261
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	{(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-ylidene}cyanamide

Q86

Q86
Name:	4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one
Formula:	C12 H13 N3 O
SMILES:	O=C(CCc1ccccc1)Cn2ncnc2
InChi:	InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2
Synonyms:	4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Definition date:	2009-10-06
Last modified:	2020-06-17
Identifier:	4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one

1RB

1RB
Name:	1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-5'-PHOSPHATE
Formula:	C12 H15 N2 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1ccccc12)C(O)C3O
InChi:	InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11-,12+/m1/s1
Synonyms:	ALPHA-RIBAZOLE-5'-PHOSPHATE DERIVATIVE
Definition date:	2002-03-19
Last modified:	2020-06-17
Identifier:	1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole

1RZ

1RZ
Name:	Lamivudine Triphosphate
Formula:	C8 H14 N3 O12 P3 S
SMILES:	NC1=NC(=O)N(C=C1)[CH]2CS[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
InChi:	InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1
Synonyms:	Lamivudine-5'-triphosphate
Definition date:	2013-05-14
Last modified:	2020-06-17
Release date:	2014-07-16
Identifier:	[[(2R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

1S6

1S6
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid
Formula:	C19 H21 N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)c3c(onc3c2ccccc2)C
InChi:	InChI=1S/C19H21N3O5S/c1-10-13(14(22-27-10)11-7-5-4-6-8-11)16(24)20-12(9-23)17-21-15(18(25)26)19(2,3)28-17/h4-9,12,15,17,21H,1-3H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Synonyms:	Oxacillin, bound form
Definition date:	2013-05-15
Last modified:	2020-06-17
Release date:	2013-10-09
Identifier:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid

1ST

1ST
Name:	(5S,6R,7R,9R)-12-HYDROXY-6-METHOXY-5-METHYL-7-(METHYLAMINO)-6,7,8,9-TETRAHYDRO-5H,14H-5,9-EPOXY-4B,9A,15-TRIAZADIBENZO[ B,H]CYCLONONA[1,2,3,4-JKL]CYCLOPENTA[E]-AS-INDACEN-14-ONE
Formula:	C28 H24 N4 O4
SMILES:	O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7cc(O)ccc67)CC(NC)C8OC)C
InChi:	InChI=1S/C28H24N4O4/c1-28-26(35-3)17(29-2)11-20(36-28)31-18-9-8-13(33)10-15(18)22-23-16(12-30-27(23)34)21-14-6-4-5-7-19(14)32(28)25(21)24(22)31/h4-10,12,17,20,26,29,33H,11H2,1-3H3/t17-,20-,26-,28+/m1/s1
Synonyms:	3-HYDROXYSTAUROSPORINE
Definition date:	2006-08-07
Last modified:	2020-06-17
Identifier:	(5S,6R,7R,9R)-12-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

1TJ

1TJ
Name:	1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione
Formula:	C19 H12 O5
SMILES:	O=C2C4=C(C(=O)c1c(O)cccc12)C(=O)Cc3cc(cc(O)c34)C
InChi:	InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,20-21H,7H2,1H3
Synonyms:	11-DEOXY-6-OXYLANDOMYCINONE
Definition date:	2013-05-30
Last modified:	2020-06-17
Release date:	2013-07-31
Identifier:	1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione

QAQ

QAQ
Name:	[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile
Formula:	C18 H14 N8 O
SMILES:	N#CCNc1ncnc(n1)n3c4ccccc4nc3Nc2cccc(O)c2
InChi:	InChI=1S/C18H14N8O/c19-8-9-20-16-21-11-22-17(25-16)26-15-7-2-1-6-14(15)24-18(26)23-12-4-3-5-13(27)10-12/h1-7,10-11,27H,9H2,(H,23,24)(H,20,21,22,25)
Synonyms:	2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)acetonitrile
Definition date:	2011-01-13
Last modified:	2020-06-17
Identifier:	[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile

QCM

QCM
Name:	Givinostat
Formula:	C24 H27 N3 O4
SMILES:	C(c3ccc(NC(OCc1ccc2c(c1)ccc(c2)CN(CC)CC)=O)cc3)(NO)=O
InChi:	InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)
Synonyms:	{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate
Definition date:	2019-10-15
Last modified:	2020-06-17
Release date:	2019-12-04
Identifier:	{6-[(diethylamino)methyl]naphthalen-2-yl}methyl [4-(hydroxycarbamoyl)phenyl]carbamate

QCP

QCP
Name:	AR-42
Formula:	C18 H20 N2 O3
SMILES:	C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C
InChi:	InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
Synonyms:	N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
Definition date:	2019-10-16
Last modified:	2020-06-17
Release date:	2019-12-04
Identifier:	N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide

1W3

1W3
Name:	7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one
Formula:	C20 H18 O4
SMILES:	O=C2Oc1cc(O)ccc1C(=C2C=Cc3cc(c(O)c(c3)C)C)C
InChi:	InChI=1S/C20H18O4/c1-11-8-14(9-12(2)19(11)22)4-6-17-13(3)16-7-5-15(21)10-18(16)24-20(17)23/h4-10,21-22H,1-3H3/b6-4+
Synonyms:	(E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one
Definition date:	2013-06-26
Last modified:	2020-06-17
Release date:	2013-08-28
Identifier:	7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one

1WU

1WU
Name:	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol
Formula:	C14 H13 B F N O3
SMILES:	Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN
InChi:	InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2
Synonyms:	6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol
Definition date:	2013-07-12
Last modified:	2020-06-17
Release date:	2013-10-02
Identifier:	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol

1WZ

1WZ
Name:	3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid
Formula:	C19 H21 N O3
SMILES:	O=C(O)c1cc(cc(N(C)C)c1)C=Cc2cc(c(O)c(c2)C)C
InChi:	InChI=1S/C19H21NO3/c1-12-7-14(8-13(2)18(12)21)5-6-15-9-16(19(22)23)11-17(10-15)20(3)4/h5-11,21H,1-4H3,(H,22,23)/b6-5+
Synonyms:	(E)-3-(dimethylamino)-5-(4-hydroxy-3,5-dimethylstyryl)benzoic acid
Definition date:	2013-07-19
Last modified:	2020-06-17
Release date:	2013-10-02
Identifier:	3-(dimethylamino)-5-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]benzoic acid

QED

QED
Name:	N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide)
Formula:	C25 H28 N6 O9
SMILES:	O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)C2=CC=CC(=O)N2O)N3O
InChi:	InChI=1S/C25H28N6O9/c32-19-7-1-4-16(22(19)35)23(36)26-10-13-29(14-11-27-24(37)17-5-2-8-20(33)30(17)39)15-12-28-25(38)18-6-3-9-21(34)31(18)40/h1-9,32,35,39-40H,10-15H2,(H,26,36)(H,27,37)(H,28,38)
Synonyms:	tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide
Definition date:	2009-06-19
Last modified:	2020-06-17
Identifier:	N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide)

1X9

1X9
Name:	Cerulenin
Formula:	C12 H17 N O3
SMILES:	O=C(CC/C=C/C/C=C/C)C1OC1C(=O)N
InChi:	InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
Synonyms:	(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide
Definition date:	2013-08-27
Last modified:	2020-06-17
Release date:	2014-04-02
Identifier:	(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide

1Y9

1Y9
Name:	vibralactone, bound form
Formula:	C12 H18 O3
SMILES:	O=CC1(C=C(CC1O)CO)CC=C(/C)C
InChi:	InChI=1S/C12H18O3/c1-9(2)3-4-12(8-14)6-10(7-13)5-11(12)15/h3,6,8,11,13,15H,4-5,7H2,1-2H3/t11-,12-/m0/s1
Synonyms:	(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde
Definition date:	2013-08-01
Last modified:	2020-06-17
Release date:	2013-12-25
Identifier:	(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde

QFJ

QFJ
Name:	propionylthiocholine
Formula:	C8 H18 N O S
SMILES:	C[N+](C)(C)CCSC(CC)=O
InChi:	InChI=1S/C8H18NOS/c1-5-8(10)11-7-6-9(2,3)4/h5-7H2,1-4H3/q+1
Synonyms:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium
Definition date:	2019-10-22
Last modified:	2020-06-17
Release date:	2020-05-13
Identifier:	N,N,N-trimethyl-2-(propanoylsulfanyl)ethan-1-aminium

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