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DDY

DDY
Name:	2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE
Formula:	C9 H15 N3 O9 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2
InChi:	InChI=1S/C9H15N3O9P2/c10-7-3-4-12(9(13)11-7)8-2-1-6(20-8)5-19-23(17,18)21-22(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
Synonyms:	DDCDP
Definition date:	2004-04-19
Last modified:	2020-06-17
Identifier:	[(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl trihydrogen diphosphate

DE9

DE9
Name:	3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
Formula:	C30 H30 N4 O4
SMILES:	O=C(O)CCC5=C(c2nc5cc1c(c(c(n1)cc4nc(cc3cc(c(c2)n3)C)C(=C4)C)C)CCC(=O)O)C
InChi:	InChI=1S/C30H30N4O4/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20/h9-14,32-33H,5-8H2,1-4H3,(H,35,36)(H,37,38)/b19-11-,20-12-,23-11-,24-13-,25-12-,26-13-,27-14-,28-14-
Synonyms:	deuteroporphyrin IX
Definition date:	2015-01-21
Last modified:	2020-06-17
Release date:	2015-05-20
Identifier:	3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid

DEQ

DEQ
Name:	DEQUALINIUM
Formula:	C30 H40 N4
SMILES:	c12ccccc1c(cc([n+]2CCCCCCCCCC[n+]4c3ccccc3c(N)cc4C)C)N
InChi:	InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
Synonyms:	DEQUADIN
Definition date:	2001-08-30
Last modified:	2020-06-17
Identifier:	1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium)

DEX

DEX
Name:	DEXAMETHASONE
Formula:	C22 H29 F O5
SMILES:	O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)C=C1)CCC4C2CC3C)C)C
InChi:	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
Synonyms:	9A-FLUORO-16BETA-METHYLPREDNISOLONE
Definition date:	2002-07-19
Last modified:	2020-06-17
Identifier:	(11alpha,14beta,16alpha,17alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione

DEY

DEY
Name:	(2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)propanamide
Formula:	C23 H25 N5 O6 S2
SMILES:	O=C(N)C(Oc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O)CCC(C)C)c4sccc4)C
InChi:	InChI=1S/C23H25N5O6S2/c1-12(2)8-9-28-23(31)18(20(29)19(26-28)16-5-4-10-35-16)22-25-15-7-6-14(34-13(3)21(24)30)11-17(15)36(32,33)27-22/h4-7,10-13,29H,8-9H2,1-3H3,(H2,24,30)(H,25,27)/t13-/m1/s1
Synonyms:	(2R)-2-({3-[5-HYDROXY-2-(3-METHYLBUTYL)-3-OXO-6-THIOPHEN-2-YL-2,3-DIHYDROPYRIDAZIN-4-YL]-1,1-DIOXO-2H-1,2,4-BENZOTHIADI AZIN-7-YL}OXY)PROPANAMIDE
Definition date:	2008-01-02
Last modified:	2020-06-17
Identifier:	(2R)-2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}oxy)propanamide

AT5

AT5
Name:	3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE
Formula:	C15 H21 Cl2 N O5
SMILES:	O=C(C1=C(O)C(OC)=C(OC)NC1=O)C(C)CC(C)C(Cl)CCl
InChi:	InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1
Synonyms:	ATPENIN A5
Definition date:	2005-07-21
Last modified:	2020-06-17
Identifier:	3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethylhexanoyl]-4-hydroxy-5,6-dimethoxypyridin-2(1H)-one

DFK

DFK
Name:	D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE
Formula:	C21 H34 N6 O3
SMILES:	O=C(NC(CCCNC(=[N@H])N)C(O)C)C2N(C(=O)C(N)Cc1ccccc1)CCC2
InChi:	InChI=1S/C21H34N6O3/c1-14(28)17(9-5-11-25-21(23)24)26-19(29)18-10-6-12-27(18)20(30)16(22)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18,28H,5-6,9-13,22H2,1H3,(H,26,29)(H4,23,24,25)/t14?,16-,17+,18+/m1/s1
Synonyms:	D-PHENYLALANYL-PROLYL-ARGINYL-CHLOROMETHANE
Definition date:	2006-02-03
Last modified:	2020-06-17
Identifier:	D-phenylalanyl-N-{(1S)-4-carbamimidamido-1-[(1R)-1-hydroxyethyl]butyl}-L-prolinamide

DFL

DFL
Name:	2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
Formula:	C15 H12 O3
SMILES:	O=C2c3c(OC(c1ccc(O)cc1)C2)cccc3
InChi:	InChI=1S/C15H12O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-8,15-16H,9H2/t15-/m0/s1
Synonyms:	4'-HYDROXYFLAVANONE
Definition date:	2001-06-28
Last modified:	2020-06-17
Identifier:	(2S)-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

DFM

DFM
Name:	N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE
Formula:	C21 H24 F2 N3 O6 P
SMILES:	FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=O)C)Cc2ccccc2)P(=O)(O)O
InChi:	InChI=1S/C21H24F2N3O6P/c1-13(27)25-18(12-14-5-3-2-4-6-14)20(29)26-17(19(24)28)11-15-7-9-16(10-8-15)21(22,23)33(30,31)32/h2-10,17-18H,11-12H2,1H3,(H2,24,28)(H,25,27)(H,26,29)(H2,30,31,32)/t17-,18-/m0/s1
Synonyms:	DIFLUOROMETHYLPHOSPHONIC ACID ANALOG
Definition date:	2006-05-04
Last modified:	2020-06-17
Identifier:	N-acetyl-L-phenylalanyl-4-[difluoro(phosphono)methyl]-L-phenylalaninamide

DFQ

DFQ
Name:	(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide
Formula:	C21 H17 Cl2 F N2 O2
SMILES:	Clc1ccc(F)c(Cl)c1C(Oc2ccc3ncc(cc3c2)C=CC(=O)NC)C
InChi:	InChI=1S/C21H17Cl2FN2O2/c1-12(20-16(22)5-6-17(24)21(20)23)28-15-4-7-18-14(10-15)9-13(11-26-18)3-8-19(27)25-2/h3-12H,1-2H3,(H,25,27)/b8-3+/t12-/m1/s1
Synonyms:	(E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-quinolin-3-yl}-n-methyl-acrylamide
Definition date:	2009-07-14
Last modified:	2020-06-17
Identifier:	(2E)-3-{6-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]quinolin-3-yl}-N-methylprop-2-enamide

DG1

DG1
Name:	(4S)-ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
Formula:	C27 H33 N8 O18 P3
SMILES:	NC(=O)C1=CN(C=C[CH]1C(=O)c2ccncc2)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O[P](O)(O)=O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C27H33N8O18P3/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(52-54(41,42)43)20(38)16(51-27)9-49-56(46,47)53-55(44,45)48-8-15-19(37)21(39)26(50-15)34-6-3-13(14(7-34)24(29)40)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-39H,8-9H2,(H2,29,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t13-,15+,16+,19+,20+,21+,22+,26+,27+/m0/s1
Synonyms:	{(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-ISONICOTINOYLPYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Definition date:	2007-06-22
Last modified:	2020-06-17
Identifier:	[(2R,3S,4R,5R)-5-[(4S)-3-aminocarbonyl-4-pyridin-4-ylcarbonyl-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

DG2

DG2
Name:	(2R)-2,3-diphosphoglyceric acid
Formula:	C3 H8 O10 P2
SMILES:	OC(=O)[CH](CO[P](O)(O)=O)O[P](O)(O)=O
InChi:	InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
Synonyms:	2,3-Bisphosphoglyceric acid
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2~{R})-2,3-diphosphonooxypropanoic acid

DG7

DG7
Name:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea
Formula:	C26 H30 N6 O2 S
SMILES:	O=C(Nc1nc(cs1)CCOCc2cccnc2)Nc4cc(nn4c3ccc(cc3)C)C(C)(C)C
InChi:	InChI=1S/C26H30N6O2S/c1-18-7-9-21(10-8-18)32-23(14-22(31-32)26(2,3)4)29-24(33)30-25-28-20(17-35-25)11-13-34-16-19-6-5-12-27-15-19/h5-10,12,14-15,17H,11,13,16H2,1-4H3,(H2,28,29,30,33)
Synonyms:	1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-3-ylmethoxy)ethyl)thiazol-2-yl)urea
Definition date:	2010-11-01
Last modified:	2020-06-17
Identifier:	1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-3-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea

DGF

DGF
Name:	(2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid
Formula:	C12 H17 N O5 S
SMILES:	O=C(O)C1=NC(SC1C2OCCC2)C(C=O)C(O)C
InChi:	InChI=1S/C12H17NO5S/c1-6(15)7(5-14)11-13-9(12(16)17)10(19-11)8-3-2-4-18-8/h5-8,10-11,15H,2-4H2,1H3,(H,16,17)/t6-,7-,8-,10+,11-/m1/s1
Synonyms:	FAROPENEM PRODUCT, BOUND FORM
Definition date:	2012-03-28
Last modified:	2020-06-17
Release date:	2016-09-28
Identifier:	(2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid

DH4

DH4
Name:	2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C15 H25 N3 O3 S
SMILES:	O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O
InChi:	InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1
Synonyms:	Mecillinam, bound form
Definition date:	2010-06-25
Last modified:	2020-06-17
Identifier:	2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

DHJ

DHJ
Name:	4-(2-CARBOXYETHYL)(HYDROXY)PHOSPHORYL]-3-OXOBUTANOIC ACID
Formula:	C7 H11 O7 P
SMILES:	O=C(O)CCP(=O)(O)CC(=O)CC(=O)O
InChi:	InChI=1S/C7H11O7P/c8-5(3-7(11)12)4-15(13,14)2-1-6(9)10/h1-4H2,(H,9,10)(H,11,12)(H,13,14)
Synonyms:	4-[(2-CARBOXYETHYL)HYDROXYPHOSPHINYL] 3-OXOBUTYRIC ACID
Definition date:	2006-08-10
Last modified:	2020-06-17
Identifier:	4-[(R)-(2-carboxyethyl)(hydroxy)phosphoryl]-3-oxobutanoic acid

DI0

DI0
Name:	Dirithromycin
Formula:	C42 H78 N2 O14
SMILES:	COC1(C)CC(OC(C1O)C)OC3C(C)C(=O)OC(CC)C(C)(O)C2C(C)C(NC(O2)COCCOC)C(CC(C(C3C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C
InChi:	InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1
Synonyms:	(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethy l-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7 -yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
Definition date:	2019-03-29
Last modified:	2020-06-17
Release date:	2019-04-17
Identifier:	(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside

4HF

4HF
Name:	N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC ACID
Formula:	C19 H23 N5 O6 S
SMILES:	O=C(O)C(NC(=O)c1sc(cc1)CCC3CNC=2N=C(N)NC(=O)C=2C3)CCC(=O)O
InChi:	InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1
Synonyms:	6R-2',5'-THIENYL-5,10-DIDEAZATETRAHYDROFOLIC ACID
Definition date:	2006-02-27
Last modified:	2020-06-17
Identifier:	N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)carbonyl]-L-glutamic acid

DIF

DIF
Name:	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID
Formula:	C14 H11 Cl2 N O2
SMILES:	Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O
InChi:	InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
Synonyms:	DICLOFENAC
Definition date:	2000-01-28
Last modified:	2020-06-17
Identifier:	{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid

4JF

4JF
Name:	(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11 '-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino -hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
Formula:	C68 H90 N6 O24
SMILES:	c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O
InChi:	InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1
Synonyms:	Lomaiviticin A
Definition date:	2016-03-18
Last modified:	2020-06-17
Release date:	2016-06-01
Identifier:	(1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside

4JS

4JS
Name:	N-(quinolin-3-yl)propanamide
Formula:	C12 H12 N2 O
SMILES:	n1c2ccccc2cc(c1)NC(CC)=O
InChi:	InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15)
Synonyms:	N-(quinolin-3-yl)prop-2-enamide, bound form
Definition date:	2015-03-23
Last modified:	2020-06-17
Release date:	2015-08-12
Identifier:	N-(quinolin-3-yl)propanamide

DKI

DKI
Name:	5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
Formula:	C15 H13 F2 N7 O2 S2
SMILES:	S=C(n1nc(nc1N)Nc2ccc(cc2)S(=O)(=O)N)Nc3c(F)cccc3F
InChi:	InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
Synonyms:	CDK 1/2 INHIBITOR
Definition date:	2006-03-15
Last modified:	2020-06-17
Identifier:	5-amino-N-(2,6-difluorophenyl)-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carbothioamide

4KL

4KL
Name:	Xanthuric acid
Formula:	C10 H7 N O4
SMILES:	Oc1cc(C(O)=O)nc2c1cccc2O
InChi:	InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
Synonyms:	Xanthurenate
Definition date:	2015-03-31
Last modified:	2020-06-17
Release date:	2015-11-18
Identifier:	4,8-dihydroxyquinoline-2-carboxylic acid

4KO

4KO
Name:	(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Formula:	C15 H17 N7 O5 S3
SMILES:	N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O
InChi:	InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1
Synonyms:	Cefmetazole
Definition date:	2013-05-13
Last modified:	2020-06-17
Release date:	2013-06-05
Identifier:	(6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

4KR

4KR
Name:	7-aminocephalosporanic acid
Formula:	C10 H12 N2 O5 S
SMILES:	O=C(O)C=1N2C(=O)C(N)C2SCC=1COC(=O)C
InChi:	InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1
Synonyms:	(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Definition date:	2013-05-29
Last modified:	2020-06-17
Release date:	2013-06-05
Identifier:	(6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

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