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BZX
BZX
Name:1,3-benzodioxol-5-ol
Formula:C7 H6 O3
SMILES:O1c2ccc(O)cc2OC1
InChi:InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
Definition date:2010-09-28
Last modified:2011-06-04
Identifier:1,3-benzodioxol-5-ol
BZZ
BZZ
Name:BENZYLHYDRAZINE
Formula:C7 H10 N2
SMILES:NNCc1ccccc1
InChi:InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2
Definition date:2006-11-30
Last modified:2011-06-04
Identifier:benzylhydrazine
C00
C00
Name:2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
Formula:C21 H15 N O3
SMILES:O=C2c1cccc(c1C(=O)N2c4cc(c3ccccc3)ccc4O)C
InChi:InChI=1S/C21H15NO3/c1-13-6-5-9-16-19(13)21(25)22(20(16)24)17-12-15(10-11-18(17)23)14-7-3-2-4-8-14/h2-12,23H,1H3
Definition date:2008-01-17
Last modified:2011-06-04
Identifier:2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
C03
C03
Name:(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID
Formula:C28 H22 Cl F3 N2 O6
SMILES:O=C(O)C(Oc1cc(c(Cl)cc1)Cn5c2cc(OC(F)(F)F)ccc2c(c4noc3cc(OC)ccc34)c5C)C
InChi:InChI=1S/C28H22ClF3N2O6/c1-14-25(26-21-8-4-17(37-3)12-24(21)40-33-26)20-7-5-19(39-28(30,31)32)11-23(20)34(14)13-16-10-18(6-9-22(16)29)38-15(2)27(35)36/h4-12,15H,13H2,1-3H3,(H,35,36)/t15-/m1/s1
Definition date:2007-04-05
Last modified:2011-06-04
Identifier:(2R)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl}phenoxy)propanoic acid
C0E
C0E
Name:3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
Formula:C12 H8 F2 O4
SMILES:O=C(c1ccc(F)cc1)C=CC(/F)=C(/O)C(=O)O
InChi:InChI=1S/C12H8F2O4/c13-8-3-1-7(2-4-8)10(15)6-5-9(14)11(16)12(17)18/h1-6,16H,(H,17,18)/b6-5+,11-9-
Definition date:2007-11-07
Last modified:2011-06-04
Identifier:(2Z,4E)-3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
C16
C16
Name:4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile
Formula:C16 H10 N2 O2
SMILES:N#Cc1ccc(cc1)N3C(=O)c2cccc(c2C3=O)C
InChi:InChI=1S/C16H10N2O2/c1-10-3-2-4-13-14(10)16(20)18(15(13)19)12-7-5-11(9-17)6-8-12/h2-8H,1H3
Definition date:2007-12-18
Last modified:2011-06-04
Identifier:4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile
C17
C17
Name:7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE
Formula:C17 H11 Cl O4
SMILES:Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2C=O)c3
InChi:InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2
Definition date:2007-07-13
Last modified:2011-06-04
Identifier:7-[(3-chlorobenzyl)oxy]-2-oxo-2H-chromene-4-carbaldehyde
C1B
C1B
Name:(2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID
Formula:C26 H24 N6 O7
SMILES:O=C(O)CC(C(=O)O)c4cc(c2nc1ccc(cc1n2)C(=[N@H])N)c(O)c(c3cc(ccc3O)CNC(=O)N)c4
InChi:InChI=1S/C26H24N6O7/c27-23(28)12-2-3-18-19(8-12)32-24(31-18)17-7-13(14(25(37)38)9-21(34)35)6-16(22(17)36)15-5-11(1-4-20(15)33)10-30-26(29)39/h1-8,14,33,36H,9-10H2,(H3,27,28)(H,31,32)(H,34,35)(H,37,38)(H3,29,30,39)/t14-/m1/s1
Definition date:2005-10-14
Last modified:2011-06-04
Identifier:(2R)-2-{5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-5'-[(carbamoylamino)methyl]-2',6-dihydroxybiphenyl-3-yl}butanedioic acid
QDS
QDS
Name:N-(quinoxalin-2-ylcarbonyl)-D-serine
Formula:C12 H11 N3 O4
SMILES:O=C(O)C(NC(=O)c1nc2ccccc2nc1)CO
InChi:InChI=1S/C12H11N3O4/c16-6-10(12(18)19)15-11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10,16H,6H2,(H,15,17)(H,18,19)/t10-/m1/s1
Definition date:2008-03-11
Last modified:2011-06-04
Identifier:N-(quinoxalin-2-ylcarbonyl)-D-serine
C1D
C1D
Name:1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
Formula:C20 H30 Cl F2 N7 O
SMILES:FC(F)(c1ncccc1)CNC2=NC=C(Cl)N(C2O)CCNCC3C(NC(N)CC3)C
InChi:InChI=1S/C20H30ClF2N7O/c1-13-14(5-6-17(24)29-13)10-25-8-9-30-16(21)11-27-18(19(30)31)28-12-20(22,23)15-4-2-3-7-26-15/h2-4,7,11,13-14,17,19,25,29,31H,5-6,8-10,12,24H2,1H3,(H,27,28)/t13?,14?,17-,19?/m1/s1
Definition date:2005-07-27
Last modified:2011-06-04
Identifier:(2S)-1-[2-({[(2R,3S,6R)-6-amino-2-methylpiperidin-3-yl]methyl}amino)ethyl]-6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-1,2-dihydropyrazin-2-ol
C1E
C1E
Name:(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Formula:C12 H9 Cl O4
SMILES:O=C(C=CC(/Cl)=C(/O)C(=O)O)c1ccccc1
InChi:InChI=1S/C12H9ClO4/c13-9(11(15)12(16)17)6-7-10(14)8-4-2-1-3-5-8/h1-7,15H,(H,16,17)/b7-6+,11-9-
Definition date:2007-11-06
Last modified:2011-06-04
Identifier:(2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
C1T
C1T
Name:S-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxocyclohex-3-en-1-yl]-L-cysteine
Formula:C10 H13 N O6 S
SMILES:CC1=C(O)C(=O)[CH](SC[CH](N)C(O)=O)[CH](O)C1=O
InChi:InChI=1S/C10H13NO6S/c1-3-5(12)7(14)9(8(15)6(3)13)18-2-4(11)10(16)17/h4,7,9,13-14H,2,11H2,1H3,(H,16,17)/t4-,7+,9-/m0/s1
Definition date:2009-12-07
Last modified:2011-06-04
Identifier:(2R)-2-azanyl-3-[(1S,6R)-3,6-dihydroxy-4-methyl-2,5-dioxo-cyclohex-3-en-1-yl]sulfanyl-propanoic acid
C21
C21
Name:THIOPHENE-2-CARBOXYLIC ACID
Formula:C5 H4 O2 S
SMILES:O=C(O)c1sccc1
InChi:InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
Definition date:2006-06-21
Last modified:2011-06-04
Identifier:thiophene-2-carboxylic acid
C24
C24
Name:3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER
Formula:C27 H29 N7 O3
SMILES:O=C(OCC)CCN(c1ncccc1)C(=O)c4ccc2c(nc(n2C)CNc3ccc(C(=[N@H])N)cc3)c4
InChi:InChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)
Definition date:2002-01-18
Last modified:2011-06-04
Identifier:ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
C28
C28
Name:N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(MORPHOLIN-4-YLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE
Formula:C19 H26 F4 N4 O4 S
SMILES:O=S(=O)(N1CCOCC1)CC(C(=O)NC2(CN)CC2)NC(c3ccc(F)cc3)C(F)(F)F
InChi:InChI=1S/C19H26F4N4O4S/c20-14-3-1-13(2-4-14)16(19(21,22)23)25-15(17(28)26-18(12-24)5-6-18)11-32(29,30)27-7-9-31-10-8-27/h1-4,15-16,25H,5-12,24H2,(H,26,28)/t15-,16-/m0/s1
Definition date:2006-02-03
Last modified:2011-06-04
Identifier:N-[1-(aminomethyl)cyclopropyl]-3-(morpholin-4-ylsulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide
C2B
C2B
Name:1-(4-CHLOROPHENYL)METHANAMINE
Formula:C7 H8 Cl N
SMILES:Clc1ccc(cc1)CN
InChi:InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
Definition date:2007-06-08
Last modified:2011-06-04
Identifier:1-(4-chlorophenyl)methanamine
C2D
C2D
Name:6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-3-YL)METHYL]AMINO}ETHYL)-3-[(2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL
Formula:C22 H31 Cl2 N5 O S
SMILES:ClC1N(C(O)C(=NC1)NCCC2NCCCC2)CCNCc3c4cc(Cl)ccc4sc3
InChi:InChI=1S/C22H31Cl2N5OS/c23-16-4-5-19-18(11-16)15(14-31-19)12-25-9-10-29-20(24)13-28-21(22(29)30)27-8-6-17-3-1-2-7-26-17/h4-5,11,14,17,20,22,25-26,30H,1-3,6-10,12-13H2,(H,27,28)/t17-,20-,22?/m1/s1
Definition date:2005-07-27
Last modified:2011-06-04
Identifier:(2R,6S)-6-chloro-1-(2-{[(5-chloro-1-benzothiophen-3-yl)methyl]amino}ethyl)-3-({2-[(2R)-piperidin-2-yl]ethyl}amino)-1,2,5,6-tetrahydropyrazin-2-ol
C2L
C2L
Name:5-METHYL-3'-O-METHOXYETHYL CYTIDINE 5'-MONOPHOSPHATE
Formula:C13 H22 N3 O9 P
SMILES:O=C1N=C(N)C(=CN1C2OC(C(OCCOC)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C13H22N3O9P/c1-7-5-16(13(18)15-11(7)14)12-9(17)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:2004-10-29
Last modified:2011-06-04
Identifier:3'-O-(2-methoxyethyl)-5-methylcytidine 5'-(dihydrogen phosphate)
C2P
C2P
Name:CYTIDINE-2'-MONOPHOSPHATE
Formula:C9 H14 N3 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OP(=O)(O)O)CO
InChi:InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-cytidylic acid
C2S
C2S
Name:CYTIDINE-5'-DITHIOPHOSPHORATE
Formula:C9 H14 N3 O5 P S2
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=S)(O)S
InChi:InChI=1S/C9H14N3O5PS2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(17-8)4-16-18(15,19)20/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,19,20)/t5-,6+,8+/m0/s1
Definition date:2001-11-02
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-[(dithiophosphono)]cytidine
C2U
C2U
Name:3,5-dichloro-2-hydroxybenzoic acid
Formula:C7 H4 Cl2 O3
SMILES:Clc1cc(Cl)cc(C(=O)O)c1O
InChi:InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
Definition date:2008-01-31
Last modified:2011-06-04
Identifier:3,5-dichloro-2-hydroxybenzoic acid
C31
C31
Name:2'-O-3-AMINOPROPYL CYTIDINE-5'-MONOPHOSPHATE
Formula:C12 H21 N4 O8 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2OCCCN)COP(=O)(O)O
InChi:InChI=1S/C12H21N4O8P/c13-3-1-5-22-10-9(17)7(6-23-25(19,20)21)24-11(10)16-4-2-8(14)15-12(16)18/h2,4,7,9-11,17H,1,3,5-6,13H2,(H2,14,15,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1
Definition date:1999-12-02
Last modified:2011-06-04
Identifier:2'-O-(3-aminopropyl)cytidine 5'-(dihydrogen phosphate)
C34
C34
Name:N4-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O7 P
SMILES:O=C1N=C(NC)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7P/c1-11-8-2-3-13(10(15)12-8)9-4-6(14)7(20-9)5-19-21(16,17)18/h2-3,6-7,9,14H,4-5H2,1H3,(H,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:1994-01-31
Last modified:2011-06-04
Identifier:2'-deoxy-N-methylcytidine 5'-(dihydrogen phosphate)
C36
C36
Name:5-METHYL-5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H17 F N3 O8 P
SMILES:O=C1N=C(N)C(F)(CN1C2OC(C(O)C2)COP(=O)(O)O)CO
InChi:InChI=1S/C10H17FN3O8P/c11-10(4-15)3-14(9(17)13-8(10)12)7-1-5(16)6(22-7)2-21-23(18,19)20/h5-7,15-16H,1-4H2,(H2,12,13,17)(H2,18,19,20)/t5-,6+,7+,10+/m0/s1
Definition date:1995-06-03
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluoro-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
C37
C37
Name:5-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 F N3 O7 P
SMILES:FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N
InChi:InChI=1S/C9H13FN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,5-7,14H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:1995-06-03
Last modified:2011-06-04
Identifier:2'-deoxy-5-fluorocytidine 5'-(dihydrogen phosphate)

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