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GDG
GDG
Name:GDP-ALPHA-D-GLUCOSE
Formula:C16 H25 N5 O16 P2
SMILES:C1(C(O)C(C(C(O1)CO)O)O)OP(OP(OCC4C(C(C(n2cnc3c2NC(=NC3=O)N)O4)O)O)(O)=O)(O)=O
InChi:InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1
Synonyms:GDP-ALPHA-D-GLUCOSE
Definition date:2006-09-05
Last modified:2020-06-17
Release date:2017-06-21
Identifier:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
GEK
GEK
Name:(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate
Formula:C16 H22 N6 O7 S
SMILES:[O-]C(=O)C[S+](CCC(C([O-])=O)[NH3+])CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30-/m0/s1
Synonyms:CARBOXY-S-ADENOSYLMETHIONINE
Definition date:2012-08-29
Last modified:2020-06-17
Identifier:(2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio]-2-ammoniobutanoate
GEN
GEN
Name:GENISTEIN
Formula:C15 H10 O5
SMILES:O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O
InChi:InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
Synonyms:5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE
Definition date:1999-07-28
Last modified:2020-06-17
Identifier:5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
GEO
GEO
Name:GEMCITABINE
Formula:C9 H11 F2 N3 O4
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2(F)F)CO
InChi:InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
Synonyms:2',2'-DIFLUORODEOXYCYTIDINE
Definition date:2003-04-29
Last modified:2020-06-17
Identifier:2'-deoxy-2',2'-difluorocytidine
GEV
GEV
Name:(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
Formula:C23 H18 N2 O4 S
SMILES:c4ccc(c3nc(CCC(c2ccc(C=C1C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4
InChi:InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28)
Synonyms:Darglitazone
Definition date:2018-05-18
Last modified:2020-06-17
Release date:2019-05-22
Identifier:(5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
GFN
GFN
Name:1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Formula:C19 H22 F N3 O4
SMILES:CC4CN(c2c(F)cc1C(C(=CN(c1c2OC)C3CC3)C(O)=O)=O)CCN4
InChi:InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/t10-/m0/s1
Synonyms:Gatifloxacin
Definition date:2015-06-04
Last modified:2020-06-17
Release date:2016-03-02
Identifier:1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
DCE
DCE
Name:1,2-DICHLOROETHANE
Formula:C2 H4 Cl2
SMILES:ClCCCl
InChi:InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2
Synonyms:ETHYLENE DICHLORIDE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:1,2-dichloroethane
DDC
DDC
Name:7-HYDROXY-2-PHENYL-CHROMAN-4-ONE
Formula:C15 H12 O3
SMILES:O=C2c3c(OC(c1ccccc1)C2)cc(O)cc3
InChi:InChI=1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2/t14-/m0/s1
Synonyms:5,4'-DIDEOXYFLAVANONE
Definition date:2000-08-30
Last modified:2020-06-17
Identifier:(2S)-7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
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
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
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
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
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
DIA
DIA
Name:OCTANE 1,8-DIAMINE
Formula:C8 H20 N2
SMILES:NCCCCCCCCN
InChi:InChI=1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
Synonyms:1,8-DIAMINOOCTANE
Definition date:2001-01-25
Last modified:2020-06-17
Identifier:octane-1,8-diamine
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
DIU
DIU
Name:2-HYDROXY-3,5-DIIODO-BENZOIC ACID
Formula:C7 H4 I2 O3
SMILES:Ic1cc(C(=O)O)c(O)c(I)c1
InChi:InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
Synonyms:2-HYDROXY-3,5-DIIODOBENZOIC ACID
Definition date:2005-07-26
Last modified:2020-06-17
Identifier:2-hydroxy-3,5-diiodobenzoic acid
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
DLW
DLW
Name:(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
Formula:C22 H23 N O3
SMILES:CCOc1ccccc1N=C(C)C2=C(O)C[CH](CC2=O)c3ccccc3
InChi:InChI=1S/C22H23NO3/c1-3-26-21-12-8-7-11-18(21)23-15(2)22-19(24)13-17(14-20(22)25)16-9-5-4-6-10-16/h4-12,17,24H,3,13-14H2,1-2H3/b23-15+/t17-/m0/s1
Synonyms:KNI-10075
Definition date:2018-01-24
Last modified:2020-06-17
Release date:2018-03-21
Identifier:(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
DLZ
DLZ
Name:1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
Formula:C13 H18 N4 O6
SMILES:O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO
InChi:InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1
Synonyms:6,7-dimethyl-8-(1'-D-ribityl) lumazine
Definition date:2009-06-16
Last modified:2020-06-17
Identifier:1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
DM1
DM1
Name:DAUNOMYCIN
Formula:C27 H29 N O10
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC5OC4OC(C(O)C(N)C4)C
InChi:InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
Synonyms:DAUNORUBICIN
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

225946

數據於2024-10-09公開中

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