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C7S

C7S
Name:	2'-deoxy-5'-O-thiophosphonocytidine
Formula:	C9 H14 N3 O6 P S
SMILES:	P(=O)(O)(OCC1C(CC(O1)N2C=CC(=NC2=O)N)O)S
InChi:	InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-17-19(15,16)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
Synonyms:	2'-deoxy-5'-O-thiophosphonocytidine (thiophospho connection isoform 2)
Definition date:	2016-04-28
Last modified:	2021-03-01
Release date:	2016-06-22
Identifier:	2'-deoxy-5'-O-thiophosphonocytidine

JEV

JEV
Name:	N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide
Formula:	C16 H21 N O2
SMILES:	C(NC(CC)=O)CC3CCc2ccc1OCCc1c23
InChi:	InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
Synonyms:	Ramelteon
Definition date:	2018-09-06
Last modified:	2021-03-01
Release date:	2019-04-24
Identifier:	N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide

C93

C93
Name:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
Formula:	C13 H15 N O5
SMILES:	O=C(O)c1c(c(ccc1)N2CCC(O)CC2)C(=O)O
InChi:	InChI=1S/C13H15NO5/c15-8-4-6-14(7-5-8)10-3-1-2-9(12(16)17)11(10)13(18)19/h1-3,8,15H,4-7H2,(H,16,17)(H,18,19)
Synonyms:	3-(4-hydroxypiperidine-1-yl) phthalic acid
Definition date:	2014-08-19
Last modified:	2021-03-01
Release date:	2014-10-15
Identifier:	3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid

C9C

C9C
Name:	4-(2-hydroxyethyloxycarbonyl)benzoic acid
Formula:	C10 H10 O5
SMILES:	OCCOC(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
Synonyms:	monohydroxyethyl terephthalate
Definition date:	2019-04-16
Last modified:	2021-03-01
Release date:	2020-04-15
Identifier:	4-(2-hydroxyethyloxycarbonyl)benzoic acid

CCA

CCA
Name:	2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER
Formula:	C17 H22 N O4
SMILES:	O=C(OC)C3C1[NH+](C)C(CC1)CC3OC(=O)c2ccccc2
InChi:	InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m1/s1
Synonyms:	COCAINE
Definition date:	2001-04-12
Last modified:	2021-03-01
Identifier:	(1S,2S,3R,5R,8R)-2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane

JIM

JIM
Name:	(2R)-2,3-dihydroxypropyl acetate
Formula:	C5 H10 O4
SMILES:	CC(=O)OC[CH](O)CO
InChi:	InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3/t5-/m1/s1
Synonyms:	(1R)-1-glycerol acetate
Definition date:	2009-11-19
Last modified:	2021-03-01
Identifier:	[(2R)-2,3-dihydroxypropyl] ethanoate

JIN

JIN
Name:	6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
Formula:	C21 H15 Cl2 F N4 O
SMILES:	Fc1c(cc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(Cl)cccc4Cl)C)C
InChi:	InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27)
Synonyms:	PD180970
Definition date:	2006-08-10
Last modified:	2021-03-01
Identifier:	6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one

CCX

CCX
Name:	3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide
Formula:	C28 H28 N6 O
SMILES:	N#Cc2c1cccc(c1nc2)C(=O)NC5CCN(CCCCc4c3cc(C#N)ccc3nc4)CC5
InChi:	InChI=1S/C28H28N6O/c29-15-19-7-8-26-25(14-19)20(17-31-26)4-1-2-11-34-12-9-22(10-13-34)33-28(35)24-6-3-5-23-21(16-30)18-32-27(23)24/h3,5-8,14,17-18,22,31-32H,1-2,4,9-13H2,(H,33,35)
Synonyms:	3-Cyano-1H-indole-7-carboxylic acid {1-[4-(5-cyano-1H-indol-3-yl)-butyl]-piperidin-4-yl}-amide
Definition date:	2010-03-04
Last modified:	2021-03-01
Identifier:	3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide

CD4

CD4
Name:	(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate
Formula:	C65 H126 O17 P2
SMILES:	O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChi:	InChI=1S/C65H126O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h59-61,66H,5-58H2,1-4H3,(H,71,72)(H,73,74)/t60-,61-/m1/s1
Synonyms:	tetramyristoyl-cardiolipin
Definition date:	2009-02-11
Last modified:	2021-03-01
Identifier:	(2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate (non-preferred name)

CDT

CDT
Name:	4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID
Formula:	C6 H12 N2 O3 S
SMILES:	O=C(NC(C(=O)O)CCSC)N
InChi:	InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
Synonyms:	N-CARBAMYL-D-METHIONINE
Definition date:	2003-05-28
Last modified:	2021-03-01
Identifier:	N-carbamoyl-D-methionine

CDV

CDV
Name:	3-METHYL-2-UREIDO-BUTYRIC ACID
Formula:	C6 H12 N2 O3
SMILES:	O=C(O)C(NC(=O)N)C(C)C
InChi:	InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
Synonyms:	N-CARBAMYL-D-VALINE
Definition date:	2003-05-29
Last modified:	2021-03-01
Identifier:	N-carbamoyl-D-valine

CEI

CEI
Name:	N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
Formula:	C25 H21 N3 O3
SMILES:	O=C(Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3)Cc4ccc(O)cc4
InChi:	InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)
Synonyms:	COELENTERAMIDE
Definition date:	2004-01-26
Last modified:	2021-03-01
Identifier:	N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide

1BN

1BN
Name:	1-BENZYL-1H-IMIDAZOLE
Formula:	C10 H10 N2
SMILES:	n1ccn(c1)Cc2ccccc2
InChi:	InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
Synonyms:	1-BENZYLIMIDAZOLE
Definition date:	2005-08-01
Last modified:	2021-03-01
Identifier:	1-benzyl-1H-imidazole

CEN

CEN
Name:	7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID
Formula:	C15 H18 N2 O8 S
SMILES:	O=C2N1C(=C(CSC1C2NC(=O)CCCC(=O)O)COC(=O)C)C(=O)O
InChi:	InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1
Synonyms:	GLUTARYL 7-AMINO CEPHALOSPORANIC ACID
Definition date:	2001-01-19
Last modified:	2021-03-01
Identifier:	(6R,7R)-3-[(acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

1BU

1BU
Name:	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
Formula:	C29 H30 N8 O
SMILES:	O=C(Nc3ccc(Nc2ncnc1c2cc(N)cc1)cc3)Nc5cc(nn5c4cccc(c4)C)C(C)(C)C
InChi:	InChI=1S/C29H30N8O/c1-18-6-5-7-22(14-18)37-26(16-25(36-37)29(2,3)4)35-28(38)34-21-11-9-20(10-12-21)33-27-23-15-19(30)8-13-24(23)31-17-32-27/h5-17H,30H2,1-4H3,(H,31,32,33)(H2,34,35,38)
Synonyms:	1-[4-(6-Amino-quinazolin-4-ylamino)-phenyl]-3-(5-tert-butyl-2-m-tolyl-2H-pyrazol-3-yl)-urea
Definition date:	2008-11-05
Last modified:	2021-03-01
Identifier:	1-{4-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea

CFB

CFB
Name:	2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE
Formula:	C10 H11 Cl F N5 O3
SMILES:	Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N
InChi:	InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1
Synonyms:	CLOFARABINE
Definition date:	2005-07-14
Last modified:	2021-03-01
Identifier:	2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine

CFE

CFE
Name:	(8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
Formula:	C11 H16 N4 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23
InChi:	InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
Synonyms:	Coformycin
Definition date:	2010-01-26
Last modified:	2021-03-01
Identifier:	(2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol

1CY

1CY
Name:	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Formula:	C11 H14 Cl N5
SMILES:	Clc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N
InChi:	InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
Synonyms:	Cycloguanil
Definition date:	2009-08-25
Last modified:	2021-03-01
Identifier:	1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

1DB

1DB
Name:	1-DECANE-SULFONIC-ACID
Formula:	C10 H22 O3 S
SMILES:	O=S(=O)(O)CCCCCCCCCC
InChi:	InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)
Synonyms:	DECANE-1-SULFONIC ACID
Definition date:	2006-02-23
Last modified:	2021-03-01
Identifier:	decane-1-sulfonic acid

JMP

JMP
Name:	2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid
Formula:	C17 H17 N O4
SMILES:	CC(C)Oc1cccc(NC(=O)c2ccccc2C(O)=O)c1
InChi:	InChI=1S/C17H17NO4/c1-11(2)22-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17(20)21/h3-11H,1-2H3,(H,18,19)(H,20,21)
Synonyms:	N-(3-Isopropoxy-phenyl)-phthalamicacid
Definition date:	2010-02-17
Last modified:	2021-03-01
Identifier:	2-[(3-propan-2-yloxyphenyl)carbamoyl]benzoic acid

JMS

JMS
Name:	2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
Formula:	C14 H11 Cl2 N O2
SMILES:	Clc2ccc(c(Cl)c2Nc1ccccc1C(=O)O)C
InChi:	InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
Synonyms:	meclofenamic acid
Definition date:	2011-03-22
Last modified:	2021-03-01
Identifier:	2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid

CGR

CGR
Name:	CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE
Formula:	C15 H23 N5 O14 P2
SMILES:	O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O
InChi:	InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
Synonyms:	CYCLIC GDP-RIBOSE
Definition date:	2006-12-11
Last modified:	2021-03-01
Identifier:	(2R,3R,4S,5R,8S,10S,13R,14S,15R,16R)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]hexacosa-18(23),19-dien-22-one 8,10-dioxide (non-preferred name)

JNJ

JNJ
Name:	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide
Formula:	C27 H22 F2 N8 O2
SMILES:	Fc2cc(n1ccnc1CN(C)C)ccc2c3ccc4c(c3F)n(nc4C(=O)N)c6cc5c(onc5N)cc6
InChi:	InChI=1S/C27H22F2N8O2/c1-35(2)13-22-32-9-10-36(22)14-3-5-16(20(28)12-14)17-6-7-18-24(27(31)38)33-37(25(18)23(17)29)15-4-8-21-19(11-15)26(30)34-39-21/h3-12H,13H2,1-2H3,(H2,30,34)(H2,31,38)
Synonyms:	1-(3-Aminobenzo[d]isoxazol-5-yl)-6-[4-(2-dimethylaminomethylimidazol-1-yl)-2-fluorophenyl]-7-fluoro-1H-indazole-3-carboxylic Acid Amide
Definition date:	2007-09-17
Last modified:	2021-03-01
Identifier:	1-(3-amino-1,2-benzisoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-7-fluoro-1H-indazole-3-carboxamide

CH5

CH5
Name:	2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM
Formula:	C8 H21 N O6 P
SMILES:	O=P(OCC(O)CO)(OCC[N+](C)(C)C)O
InChi:	InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
Synonyms:	GLYCERO-3-PHOSPHOCHOLINE
Definition date:	2005-08-12
Last modified:	2021-03-01
Identifier:	2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium

CHU

CHU
Name:	N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide
Formula:	C21 H18 F N5 O5 S
SMILES:	O=S(=O)(NC)Nc1nccc(c1F)CC2=C(c4c(OC2=O)cc(Oc3ncccn3)cc4)C
InChi:	InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)
Synonyms:	CH5126766
Definition date:	2013-10-01
Last modified:	2021-03-01
Release date:	2014-06-04
Identifier:	N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide

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245011

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