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3GY

3GY
Name:	(2R)-butan-2-ylbenzene
Formula:	C10 H14
SMILES:	c1ccccc1C(CC)C
InChi:	InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1
Synonyms:	sec-Butylbenzene
Definition date:	2014-08-18
Last modified:	2020-06-17
Release date:	2015-04-01
Identifier:	(2R)-butan-2-ylbenzene

3H4

3H4
Name:	(1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-L-valyl)amino]octa-1,6-dien-4-yl carbamate
Formula:	C31 H45 N3 O7
SMILES:	O=C(OC(CC=C/C)C/C=CNC(=O)C(NC(=O)C=C/C=CC(=CC(C)C1OC(=O)C(OC)=CC1)C)C(C)(C)C)N
InChi:	InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1
Synonyms:	PM060184
Definition date:	2014-08-19
Last modified:	2020-06-17
Release date:	2014-09-03
Identifier:	(1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methyl-L-valyl)amino]octa-1,6-dien-4-yl carbamate

3HA

3HA
Name:	3-HYDROXYANTHRANILIC ACID
Formula:	C7 H7 N O3
SMILES:	O=C(O)c1cccc(O)c1N
InChi:	InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
Synonyms:	2-AMINO-3-HYDROXYBENZOIC ACID
Definition date:	2004-08-16
Last modified:	2020-06-17
Identifier:	2-amino-3-hydroxybenzoic acid

3HC

3HC
Name:	3-HYDROXYBUTANOYL-COENZYME A
Formula:	C25 H42 N7 O18 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CC(O)C
InChi:	InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1
Synonyms:	3-HYDROXYBUTYRYL-COENZYME A
Definition date:	2000-05-31
Last modified:	2020-06-17
Identifier:	S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (3S)-3-hydroxybutanethioate (non-preferred name)

JAN

JAN
Name:	6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE
Formula:	C27 H22 Cl2 N4 O
SMILES:	Clc1cccc(c1)C=3c2cc(ccc2N(C(=O)C=3)C)C(N)(c4cncn4C)c5ccc(Cl)cc5
InChi:	InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1
Synonyms:	R115777
Definition date:	2004-02-18
Last modified:	2020-06-17
Identifier:	6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one

3HM

3HM
Name:	5-hydroxy-6-methylpyridine-3-carboxylic acid
Formula:	C7 H7 N O3
SMILES:	O=C(O)c1cnc(c(O)c1)C
InChi:	InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)
Synonyms:	2-methyl-3-hydroxypyridine-5-carboxylic acid
Definition date:	2009-03-25
Last modified:	2020-06-17
Identifier:	5-hydroxy-6-methylpyridine-3-carboxylic acid

JD7

JD7
Name:	4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
Formula:	C14 H13 N3
SMILES:	C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3
InChi:	InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1
Synonyms:	fadrozole
Definition date:	2018-08-30
Last modified:	2020-06-17
Release date:	2018-11-21
Identifier:	4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile

JDJ

JDJ
Name:	23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
Formula:	C30 H54 O9
SMILES:	CC(CC(C)(c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO)C)(C)C
InChi:	InChI=1S/C30H54O9/c1-29(2,3)26-30(4,5)27-6-8-28(9-7-27)39-25-24-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-13-12-32-11-10-31/h6-9,31H,10-26H2,1-5H3
Synonyms:	Anapoe-X-114
Definition date:	2018-09-04
Last modified:	2020-06-17
Release date:	2019-07-10
Identifier:	23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol

JDR

JDR
Name:	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide
Formula:	C13 H13 Cl N4 O3 S2
SMILES:	O=S(=O)(N)c1ccc(cc1)CNc2nc(SC)nc(Cl)c2C=O
InChi:	InChI=1S/C13H13ClN4O3S2/c1-22-13-17-11(14)10(7-19)12(18-13)16-6-8-2-4-9(5-3-8)23(15,20)21/h2-5,7H,6H2,1H3,(H2,15,20,21)(H,16,17,18)
Synonyms:	4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide
Definition date:	2010-03-29
Last modified:	2020-06-17
Identifier:	4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide

JEF

JEF
Name:	O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)
Formula:	C30 H63 N O10
SMILES:	O(C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(N)C)CC(OCCOC)C
InChi:	InChI=1S/C30H63NO10/c1-22(31)13-33-14-23(2)35-16-25(4)37-18-27(6)39-20-29(8)41-21-30(9)40-19-28(7)38-17-26(5)36-15-24(3)34-12-11-32-10/h22-30H,11-21,31H2,1-10H3/t22?,23-,24?,25-,26?,27+,28-,29+,30?/m1/s1
Synonyms:	JEFFAMINE
Definition date:	2003-02-27
Last modified:	2020-06-17
Identifier:	(9S,12R,15R,18S,21S,24R,27R)-6,9,12,15,18,21,24,27-octamethyl-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-amine

JEY

JEY
Name:	N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Formula:	C19 H20 N2 O2
SMILES:	C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C
InChi:	InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
Synonyms:	2-phenylmelatonin
Definition date:	2018-09-06
Last modified:	2020-06-17
Release date:	2019-04-24
Identifier:	N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide

JFN

JFN
Name:	(2R)-1-methoxypropan-2-amine
Formula:	C4 H11 N O
SMILES:	COCC(C)N
InChi:	InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m1/s1
Synonyms:	jeffamine
Definition date:	2018-08-17
Last modified:	2020-06-17
Release date:	2018-10-17
Identifier:	(2R)-1-methoxypropan-2-amine

JH2

JH2
Name:	methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
Formula:	C17 H28 O3
SMILES:	O=C(OC)C=C(/C)CCC=C(/C)CCC1OC1(CC)C
InChi:	InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1
Synonyms:	JH II, Juvenile hormone II
Definition date:	2010-10-26
Last modified:	2020-06-17
Identifier:	methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate

JI1

JI1
Name:	3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol
Formula:	C13 H22 N4 O
SMILES:	n1c(N)cccc1CC2CNCC2NCCCO
InChi:	InChI=1S/C13H22N4O/c14-13-4-1-3-11(17-13)7-10-8-15-9-12(10)16-5-2-6-18/h1,3-4,10,12,15-16,18H,2,5-9H2,(H2,14,17)/t10-,12+/m0/s1
Synonyms:	(+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
Definition date:	2007-10-23
Last modified:	2020-06-17
Identifier:	3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol

JI5

JI5
Name:	N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
Formula:	C21 H30 F N5
SMILES:	Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:	InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
Synonyms:	N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Definition date:	2009-09-23
Last modified:	2020-06-17
Identifier:	N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

JIA

JIA
Name:	(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Formula:	C19 H39 N5 O9
SMILES:	CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O
InChi:	InChI=1S/C19H39N5O9/c1-19(29)5-30-18(13(28)16(19)24-2)33-15-7(22)3-6(21)14(12(15)27)32-17-9(23)11(26)10(25)8(4-20)31-17/h6-18,24-29H,3-5,20-23H2,1-2H3/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
Synonyms:	JI-20A
Definition date:	2018-02-02
Last modified:	2020-06-17
Release date:	2019-01-16
Identifier:	(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol

OER

OER
Name:	SR-MN4-O5 CLUSTER
Formula:	Mn4 O5 Sr
SMILES:	O1[Mn][O-]2\|3[Mn]4\|O5[Sr++]2\|O6[Mn]1\|3[O+]4[Mn]56
InChi:	InChI=1S/4Mn.5O.Sr/q
Synonyms:	Mn4SrOt5-cluster
Definition date:	2013-02-12
Last modified:	2020-06-17

OGK

OGK
Name:	(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid
Formula:	C18 H27 N O4
SMILES:	O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC23
InChi:	InChI=1S/C18H27NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h10-14H,3-9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,14+,18+/m1/s1
Synonyms:	Coronatine
Definition date:	2010-09-07
Last modified:	2020-06-17
Identifier:	(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid

OGN

OGN
Name:	[(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate
Formula:	C15 H19 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2
InChi:	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1
Synonyms:	Gal-PUGNAc
Definition date:	2011-09-22
Last modified:	2020-06-17
Identifier:	N-[(2Z,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

OHB

OHB
Name:	salicylamide
Formula:	C7 H7 N O2
SMILES:	O=C(c1ccccc1O)N
InChi:	InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
Synonyms:	2-hydroxybenzamide
Definition date:	2013-04-10
Last modified:	2020-06-17
Release date:	2013-10-09
Identifier:	2-hydroxybenzamide

OHW

OHW
Name:	4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine
Formula:	C23 H32 F3 N3 O2
SMILES:	CCCc1c([nH]c2cc(OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4
InChi:	InChI=1S/C23H32F3N3O2/c1-2-5-19-18-8-7-17(31-23(24,25)26)16-20(18)27-22(19)21-6-3-4-9-29(21)11-10-28-12-14-30-15-13-28/h7-8,16,21,27H,2-6,9-15H2,1H3/t21-/m1/s1
Synonyms:	CAD204520
Definition date:	2020-03-12
Last modified:	2020-06-17
Release date:	2020-05-20
Identifier:	4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine

OID

OID
Name:	10-(1H-imidazol-1-yl)decanoic acid
Formula:	C13 H22 N2 O2
SMILES:	O=C(O)CCCCCCCCCn1ccnc1
InChi:	InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)
Synonyms:	10-imidazolyl-decanoic acid
Definition date:	2009-03-27
Last modified:	2020-06-17
Identifier:	10-(1H-imidazol-1-yl)decanoic acid

OIS

OIS
Name:	(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE
Formula:	C34 H46 N6 O6 S2
SMILES:	O=S(=O)(c1ccc(C=NO)cc1)N(CC(C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(sc3)C)C(C)C)Cc4ccccc4
InChi:	InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1
Synonyms:	OXIMINOARYLSULFONAMIDE
Definition date:	2005-02-11
Last modified:	2020-06-17
Identifier:	(2S)-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(2-methylpropyl)amino]propyl}-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide

OLU

OLU
Name:	2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE
Formula:	C10 H6 N2 O2 S2
SMILES:	O=C1N=C(SC1)c2sc3c(n2)ccc(O)c3
InChi:	InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2
Synonyms:	OXYLUCIFERIN
Definition date:	2005-09-06
Last modified:	2020-06-17
Identifier:	2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one

OLV

OLV
Name:	cyclohexyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate
Formula:	C39 H52 N6 O9 S
SMILES:	C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CCCCC6)C7)=O
InChi:	InChI=1S/C39H52N6O9S/c1-24-34(41-31-20-27(52-3)16-17-29(31)40-24)53-28-21-32-33(46)43-39(36(48)44-55(50,51)38(2)18-19-38)22-25(39)12-8-5-4-6-11-15-30(35(47)45(32)23-28)42-37(49)54-26-13-9-7-10-14-26/h8,12,16-17,20,25-26,28,30,32H,4-7,9-11,13-15,18-19,21-23H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,28-,30+,32+,39-/m1/s1
Synonyms:	P4-6 (NR03-67)
Definition date:	2019-06-28
Last modified:	2020-06-17
Release date:	2020-03-04
Identifier:	cyclohexyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

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