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033
033
Name:N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-1,1'-BIPHENYL-4-YL}SULFONYL)-L-VALINE
Formula:C26 H24 N2 O6 S
SMILES:O=C(O)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c4oc3ccccc3c4)C(C)C
InChi:InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m0/s1
Synonyms:WAY033
Definition date:2005-06-10
Last modified:2020-06-17
Identifier:N-({4'-[(1-benzofuran-2-ylcarbonyl)amino]biphenyl-4-yl}sulfonyl)-L-valine
03F
03F
Name:(9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
Formula:C42 H79 N O8
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C42H79NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29,31,35-37,39-42,44-45,47-49H,3-16,19-28,30,32-34H2,1-2H3,(H,43,46)/b18-17-,31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1
Synonyms:N-(9Z-octadecenoyl)-1--glucosyl-sphing-4-enine
Definition date:2011-08-21
Last modified:2020-06-17
Identifier:(9Z)-N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadec-9-enamide
HCV
HCV
Name:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
Formula:C15 H27 N3 O6 S
SMILES:O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CCS
InChi:InChI=1S/C15H27N3O6S/c1-8(2)12(15(23)24)18-13(20)10(6-7-25)17-11(19)5-3-4-9(16)14(21)22/h8-10,12,25H,3-7,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t9-,10-,12+/m0/s1
Synonyms:Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine
Definition date:2013-01-24
Last modified:2020-06-17
Release date:2013-02-01
Identifier:N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine
03V
03V
Name:naphthalen-2-ol
Formula:C10 H8 O
SMILES:Oc2ccc1c(cccc1)c2
InChi:InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
Synonyms:2-Naphtol
Definition date:2011-10-10
Last modified:2020-06-17
Identifier:naphthalen-2-ol
HDD
HDD
Name:CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE
Formula:C34 H32 Fe N4 O5
SMILES:O=C(O)CCc1c(c2C=C7C(=C(C=C)C6=Cc5c(c(C=C)c4C=C9N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(O)C)C)C)C
InChi:InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23
Synonyms:HEME
Definition date:2000-08-22
Last modified:2020-06-17
Identifier:{3-[(2R,5'S)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,12,14,16,18]nonaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron
04A
04A
Name:N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
Formula:C24 H24 N6 O2 S3
SMILES:O=C(Nc1nnc(s1)CCSCCc2nnc(s2)NC(=O)Cc3ccccc3)Cc4ccccc4
InChi:InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32)
Synonyms:BPTES
Definition date:2011-11-22
Last modified:2020-06-17
Identifier:N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
04J
04J
Name:Aminopterin
Formula:C19 H20 N8 O5
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3N)N)CCC(=O)O
InChi:InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
Synonyms:N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
Definition date:2011-11-23
Last modified:2020-06-17
Release date:2013-08-07
Identifier:N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
HE5
HE5
Name:ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER
Formula:C32 H34 N4 O4 Zn
SMILES:COC(=O)CCc1c(C)c2C=C3C[CH](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC
InChi:InChI=1S/C32H34N4O4.Zn/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22
Synonyms:ZND-DME
Definition date:2006-10-10
Last modified:2020-06-17
HE7
HE7
Name:4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
Formula:C22 H28 O5
SMILES:O=C(O)CCC(=O)OC4CCC3C2C(c1ccc(O)cc1CC2)CCC34C
InChi:InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1
Synonyms:1,3,5(10)-Estratrien-3-[(17beta)-diol]-17-hemisuccinate
Definition date:2007-09-06
Last modified:2020-06-17
Identifier:4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
HFD
HFD
Name:2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine
Formula:C10 H15 F N5 O13 P3
SMILES:O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O
InChi:InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1
Synonyms:Fludarabine-TRIPHOSPHATE
Definition date:2018-06-27
Last modified:2020-06-17
Release date:2018-10-10
Identifier:2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine
HFS
HFS
Name:1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE
Formula:C14 H17 N3 O3 S
SMILES:O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3
InChi:InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)
Synonyms:HYDROXYFASUDIL
Definition date:2005-10-26
Last modified:2020-06-17
Identifier:5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-ol
HFT
HFT
Name:HYDROXYFLUTAMIDE
Formula:C11 H11 F3 N2 O4
SMILES:FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC(=O)C(O)(C)C
InChi:InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
Synonyms:2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE
Definition date:2005-09-06
Last modified:2020-06-17
Identifier:2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
HG1
HG1
Name:1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
Formula:C18 H35 N O7
SMILES:O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1
InChi:InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1
Synonyms:C-HEGA-10
Definition date:2013-10-16
Last modified:2020-06-17
Release date:2013-12-11
Identifier:1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
06X
06X
Name:Amlodipine
Formula:C20 H25 Cl N2 O5
SMILES:CCOC(=O)C1=C(COCCN)NC(=C([CH]1c2ccccc2Cl)C(=O)OC)C
InChi:InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3/t17-/m1/s1
Synonyms:O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Definition date:2011-09-15
Last modified:2020-06-17
Release date:2012-09-07
Identifier:O3-ethyl O5-methyl 2-(2-azanylethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
HGD
HGD
Name:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
Formula:C20 H32 Hg N6 O12 S2
SMILES:O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
InChi:InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16
Synonyms:S-Mercury glutathione
Definition date:2013-10-31
Last modified:2020-06-17
Release date:2014-03-19
Identifier:mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine)
072
072
Name:(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-2-HEPTYL-4-OXO-5-THIAZOLIDINE
Formula:C37 H46 N2 O4 S
SMILES:O=C(O)c1ccc(cc1)CCCCN2C(=O)C(SC2CCCCCCC)CC(=O)N(Cc3ccccc3)Cc4ccccc4
InChi:InChI=1S/C37H46N2O4S/c1-2-3-4-5-12-20-35-39(25-14-13-15-29-21-23-32(24-22-29)37(42)43)36(41)33(44-35)26-34(40)38(27-30-16-8-6-9-17-30)28-31-18-10-7-11-19-31/h6-11,16-19,21-24,33,35H,2-5,12-15,20,25-28H2,1H3,(H,42,43)/t33-,35-/m0/s1
Synonyms:THIAZOLIDINONE
Definition date:1999-07-08
Last modified:2020-06-17
Identifier:4-(4-{(2S,5S)-5-[2-(dibenzylamino)-2-oxoethyl]-2-heptyl-4-oxo-1,3-thiazolidin-3-yl}butyl)benzoic acid
075
075
Name:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methyl sulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Formula:C40 H45 N5 O9 S2
SMILES:O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CS(=O)(=O)C)Cc5ccccc5)CSC6(C)C
InChi:InChI=1S/C40H45N5O9S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-55-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-56(3,52)53)42-33(47)21-54-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1
Synonyms:KNI-10075
Definition date:2007-04-18
Last modified:2020-06-17
Identifier:(4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-3-(methylsulfonyl)-L-alanyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
07J
07J
Name:3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
Formula:C26 H31 Cl2 N7 O3
SMILES:Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)Nc4ccc(N3CCN(CC)CC3)cc4)C
InChi:InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
Synonyms:BGJ398
Definition date:2011-09-27
Last modified:2020-06-17
Identifier:3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1-methylurea
07P
07P
Name:N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
Formula:C55 H107 N O8
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCCC2CC2CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C55H107NO8/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-34-38-42-51(59)56-48(45-63-55-54(62)53(61)52(60)50(44-57)64-55)49(58)41-37-33-30-32-36-40-47-43-46(47)39-35-31-28-12-10-8-6-4-2/h46-50,52-55,57-58,60-62H,3-45H2,1-2H3,(H,56,59)/t46-,47-,48+,49-,50-,52+,53+,54-,55+/m1/s1
Synonyms:SMC124
Definition date:2011-10-03
Last modified:2020-06-17
Identifier:N-[(2S,3R)-10-[(1R,2R)-2-decylcyclopropyl]-1-(alpha-D-galactopyranosyloxy)-3-hydroxydecan-2-yl]hexacosanamide
HH3
HH3
Name:(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
Formula:C9 H9 N O4
SMILES:O=C(NC(O)C(=O)O)c1ccccc1
InChi:InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)/t8-/m0/s1
Synonyms:alpha-hydroxyhippuric acid
Definition date:2009-01-26
Last modified:2020-06-17
Identifier:(2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid
07V
07V
Name:(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
Formula:C10 H14 O
SMILES:O=C1C(=CCC(C(=C)C)C1)C
InChi:InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m1/s1
Synonyms:R-carvone
Definition date:2011-10-07
Last modified:2020-06-17
Release date:2012-09-21
Identifier:(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
085
085
Name:4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
Formula:C22 H16 N4 O3
SMILES:O=C(N)c1ccc(cc1)c5nc(c2ncccc2)c(c3ccc4OCOc4c3)n5
InChi:InChI=1S/C22H16N4O3/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17/h1-11H,12H2,(H2,23,27)(H,25,26)
Synonyms:SB431542
Definition date:2011-10-11
Last modified:2020-06-17
Identifier:4-[5-(1,3-benzodioxol-5-yl)-4-(pyridin-2-yl)-1H-imidazol-2-yl]benzamide
HHG
HHG
Name:(2R)-2-HYDROXY-3-(PHOSPHONOOXY)PROPYL HEXANOATE
Formula:C9 H19 O7 P
SMILES:O=P(O)(O)OCC(O)COC(=O)CCCCC
InChi:InChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m0/s1
Synonyms:1-MONOHEXANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHATE
Definition date:2005-01-05
Last modified:2020-06-17
Identifier:(2S)-2-hydroxy-3-(phosphonooxy)propyl hexanoate
08H
08H
Name:8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Formula:C17 H13 Cl N4
SMILES:Clc2cc1C(=NCc3nnc(n3c1cc2)C)c4ccccc4
InChi:InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
Synonyms:ALPRAZOLAM
Definition date:2011-10-13
Last modified:2020-06-17
Identifier:8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
08J
08J
Name:8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
Formula:C18 H13 Cl F N3
SMILES:Fc4ccccc4C2=NCc1cnc(n1c3c2cc(Cl)cc3)C
InChi:InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
Synonyms:Midazolam
Definition date:2011-10-13
Last modified:2020-06-17
Identifier:8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine

245011

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