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GY8

GY8
Name:	2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide
Formula:	C24 H21 Cl2 N5 O4
SMILES:	c1(Cl)cncc(c1C(N5CCCC5C=4NC(C(O)=C(C(=O)NC2Cc3c(C2)cccc3)N=4)=O)=O)Cl
InChi:	InChI=1S/C24H21Cl2N5O4/c25-15-10-27-11-16(26)18(15)24(35)31-7-3-6-17(31)21-29-19(20(32)23(34)30-21)22(33)28-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,10-11,14,17,32H,3,6-9H2,(H,28,33)(H,29,30,34)/t17-/m0/s1
Synonyms:	SRI-29928
Definition date:	2017-06-22
Last modified:	2020-06-17
Release date:	2017-12-27
Identifier:	2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide

GYA

GYA
Name:	2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide
Formula:	C28 H29 Cl N4 O6 S
SMILES:	C3(=O)C(O)=C(C(=O)NC2Cc1cc(OC)c(cc1C2)OC)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O
InChi:	InChI=1S/C28H29ClN4O6S/c1-38-20-12-15-10-17(11-16(15)13-21(20)39-2)30-27(36)24-25(35)28(37)32-26(31-24)19-7-5-9-33(19)23(34)14-40-22-8-4-3-6-18(22)29/h3-4,6,8,12-13,17,19,35H,5,7,9-11,14H2,1-2H3,(H,30,36)(H,31,32,37)/t19-/m0/s1
Synonyms:	SRI-30026
Definition date:	2017-06-28
Last modified:	2020-06-17
Release date:	2018-01-03
Identifier:	2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide

GZZ

GZZ
Name:	N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE
Formula:	C18 H41 N7
SMILES:	[N@H]=C(N)NCCCCCCCCNCCCCCCCCNC(=[N@H])N
InChi:	InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
Synonyms:	GUAZATINE
Definition date:	2001-01-25
Last modified:	2020-06-17
Identifier:	N,N'''-(iminodioctane-8,1-diyl)diguanidine

H02

H02
Name:	N-METHYL PROTOPORPHYRIN IX 2,4-DISULFONIC ACID
Formula:	C35 H42 N4 O4
SMILES:	O=C(O)CCC5=C(C=2NC5=Cc1c(c(c(n1)C=C4C(=C(C(=Cc3nc(C=2)c(c3CC)C)N4C)C)CC)C)CCC(=O)O)C
InChi:	InChI=1S/C35H42N4O4/c1-8-22-18(3)26-14-27-19(4)24(10-12-34(40)41)29(36-27)15-30-25(11-13-35(42)43)20(5)28(38-30)16-33-23(9-2)21(6)32(39(33)7)17-31(22)37-26/h14-17,36-38H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-14-,28-16-,29-15-,30-15-,31-17-,32-17-,33-16-
Synonyms:	3,3'-(7,12-DIETHYL-3,8,13,17,22-PENTAMETHYL-22,24-DIHYDROPORPHYRIN-2,18-DIYL)DIPROPANOIC ACID
Definition date:	2007-06-15
Last modified:	2020-06-17
Identifier:	3,3'-(7,12-diethyl-3,8,13,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid

H1L

H1L
Name:	(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid
Formula:	C15 H11 Cl F3 N O4
SMILES:	O=C(O)C(Oc2ccc(Oc1ncc(cc1Cl)C(F)(F)F)cc2)C
InChi:	InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/t8-/m1/s1
Synonyms:	HALOXYFOP INHIBITOR, R enantiomer
Definition date:	2004-03-02
Last modified:	2020-06-17
Identifier:	(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid

H2B

H2B
Name:	2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE
Formula:	C9 H13 N5 O3
SMILES:	O=C1N=C(N=C2NCC(N=C12)C(O)C(O)C)N
InChi:	InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,15-16H,2H2,1H3,(H3,10,11,13,14,17)/t3-,4+,6-/m0/s1
Synonyms:	QUINONOID 7,8-TETRAHYDROBIOPTERIN
Definition date:	1999-12-16
Last modified:	2020-06-17
Identifier:	(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(6H)-one

CAU

CAU
Name:	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
Formula:	C18 H22 N2 O2
SMILES:	OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2
InChi:	InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1
Synonyms:	(S)-Carazolol
Definition date:	2007-10-10
Last modified:	2020-06-17
Identifier:	(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol

CBE

CBE
Name:	2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE
Formula:	C12 H13 N O2 S
SMILES:	O=C(C=1SCCOC=1C)Nc2ccccc2
InChi:	InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
Synonyms:	5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID
Definition date:	2005-07-21
Last modified:	2020-06-17
Identifier:	2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

CBQ

CBQ
Name:	[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID
Formula:	C6 H9 Cl N2 O6 P2
SMILES:	O=P(O)(O)C(Nc1ncc(Cl)cc1)P(=O)(O)O
InChi:	InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Synonyms:	[{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE
Definition date:	2004-04-20
Last modified:	2020-06-17
Identifier:	{[(5-chloropyridin-2-yl)amino]methanediyl}bis(phosphonic acid)

CCB

CCB
Name:	CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE
Formula:	C10 H17 N O
SMILES:	O=CN(C1CCC1)C2CCCC2
InChi:	InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2
Synonyms:	N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE
Definition date:	2004-07-26
Last modified:	2020-06-17
Identifier:	N-cyclobutyl-N-cyclopentylformamide

CCE

CCE
Name:	2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM
Formula:	C6 H15 N2 O2
SMILES:	O=C(OCC[N+](C)(C)C)N
InChi:	InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
Synonyms:	CARBAMYL-CHOLINE
Definition date:	2004-01-15
Last modified:	2020-06-17
Identifier:	2-(carbamoyloxy)-N,N,N-trimethylethanaminium

CCR

CCR
Name:	[N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE
Formula:	C29 H39 N5 O7 S
SMILES:	O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c2c(c(c(OC)cc2C)C)C)CC(=O)O)Cc3ccc(C(=[N@H])N)cc3
InChi:	InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1
Synonyms:	CRC200 (CHIRON-BEHRING)
Definition date:	2001-10-23
Last modified:	2020-06-17
Identifier:	N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine

CCU

CCU
Name:	(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID
Formula:	C6 H6 O4
SMILES:	O=C(O)C=C/C=CC(=O)O
InChi:	InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-
Synonyms:	CIS,CIS-MUCONIC ACID
Definition date:	2005-12-09
Last modified:	2020-06-17
Identifier:	(2Z,4Z)-hexa-2,4-dienedioic acid

CCV

CCV
Name:	6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Formula:	C9 H14 N2 O4
SMILES:	O=C1NC(=C(C(=O)N1)C)CC(CO)CO
InChi:	InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
Synonyms:	6-(DIHYDROXY-ISOBUTYL)-THYMINE
Definition date:	2000-05-25
Last modified:	2020-06-17
Identifier:	6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione

CDX

CDX
Name:	(S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE
Formula:	C11 H16 N4 O4
SMILES:	O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2
InChi:	InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1
Synonyms:	ICRF-187
Definition date:	2003-07-25
Last modified:	2020-06-17
Identifier:	4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione

CE1

CE1
Name:	O-DODECANYL OCTAETHYLENE GLYCOL
Formula:	C28 H58 O9
SMILES:	O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO
InChi:	InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
Synonyms:	THESIT
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-ol

CE3

CE3
Name:	(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid
Formula:	C16 H17 N5 O7 S2
SMILES:	O=C(O)C=2N3C(=O)C(NC(=O)C(=NOC)/c1nc(sc1)N)C3SCC=2COC(=O)C
InChi:	InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
Synonyms:	CEFOTAXIME
Definition date:	2005-12-07
Last modified:	2020-06-17
Identifier:	(6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CE4

CE4
Name:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid
Formula:	C14 H15 N5 O6 S2
SMILES:	C=C2/C(C(O)=O)=NC(C(C(O)=O)NC(/C(c1csc(n1)N)=NOC)=O)SC2
InChi:	InChI=1S/C14H15N5O6S2/c1-5-3-26-11(18-7(5)12(21)22)9(13(23)24)17-10(20)8(19-25-2)6-4-27-14(15)16-6/h4,9,11H,1,3H2,2H3,(H2,15,16)(H,17,20)(H,21,22)(H,23,24)/b19-8-/t9-,11+/m0/s1
Synonyms:	cefotaxime, hydrolyzed, C3'-cleaved, open, unbound form
Definition date:	2017-01-20
Last modified:	2020-06-17
Release date:	2017-04-26
Identifier:	(2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

CE9

CE9
Name:	DODECYL NONA ETHYLENE GLYCOL ETHER
Formula:	C30 H62 O10
SMILES:	O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
InChi:	InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
Synonyms:	POLYDOCANOL
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol

CEB

CEB
Name:	2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE
Formula:	C10 H15 Cl N6
SMILES:	Clc1nc(nc(n1)NC(C#N)(C)CC)NCC
InChi:	InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1
Synonyms:	DG-420314
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile

CEK

CEK
Name:	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
Formula:	C28 H23 N O7
SMILES:	COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C]23C)O)c1C(=O)NCc4cccc5ccccc45
InChi:	InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,31-32H,13H2,1-3H3,(H,29,34)/t28-/m1/s1
Synonyms:	(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carbox amide
Definition date:	2010-02-16
Last modified:	2020-06-17
Identifier:	(9aS)-8-ethanoyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-dibenzofuran-4-carboxamide

CEL

CEL
Name:	4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
Formula:	C17 H14 F3 N3 O2 S
SMILES:	O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N
InChi:	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Synonyms:	CELECOXIB
Definition date:	2003-03-20
Last modified:	2020-06-17
Identifier:	4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide

CET

CET
Name:	2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE
Formula:	C10 H15 Cl N6
SMILES:	Clc1nc(nc(n1)NC(C#N)(C)CC)NCC
InChi:	InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m1/s1
Synonyms:	DG-420315
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile

CFF

CFF
Name:	CAFFEINE
Formula:	C8 H10 N4 O2
SMILES:	O=C2N(c1ncn(c1C(=O)N2C)C)C
InChi:	InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
Synonyms:	3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
Definition date:	2000-05-16
Last modified:	2020-06-17
Identifier:	1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

CFL

CFL
Name:	4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
Formula:	C9 H13 F N3 O7 P
SMILES:	O=C1N=C(N)C=CN1C2OC(C(O)C2F)COP(=O)(O)O
InChi:	InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1
Synonyms:	2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Definition date:	2006-09-07
Last modified:	2020-06-17
Identifier:	4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one

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