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63G
63G
Name:(6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
Formula:C13 H18 N5 O8 P
SMILES:O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O
InChi:InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8-,9+/m0/s1
Definition date:2009-01-08
Last modified:2011-06-04
Identifier:(6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
63H
63H
Name:(6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
Formula:C13 H18 N5 O8 P
SMILES:O=C2c3ncn(c3N=C1NC(O)CCN12)C4OC(C(O)C4)COP(=O)(O)O
InChi:InChI=1S/C13H18N5O8P/c19-6-3-9(26-7(6)4-25-27(22,23)24)18-5-14-10-11(18)16-13-15-8(20)1-2-17(13)12(10)21/h5-9,19-20H,1-4H2,(H,15,16)(H2,22,23,24)/t6-,7+,8+,9+/m0/s1
Definition date:2009-04-15
Last modified:2011-06-04
Identifier:(6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
641
641
Name:(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Formula:C17 H20 Cl2 N2 O2
SMILES:Clc1cc(cc(Cl)c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3
InChi:InChI=1S/C17H20Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h7-9,11,15H,1-6,10H2,(H,20,23)/t11-/m0/s1
Definition date:2006-06-14
Last modified:2011-06-04
Identifier:(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
642
642
Name:(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
Formula:C29 H24 N2 O4
SMILES:O=C5NC(c4ccc(OCc2c3ccccc3nc(c1ccccc1)c2)cc4)CC56C(C(=O)O)C6
InChi:InChI=1S/C29H24N2O4/c32-27(33)23-15-29(23)16-26(31-28(29)34)19-10-12-21(13-11-19)35-17-20-14-25(18-6-2-1-3-7-18)30-24-9-5-4-8-22(20)24/h1-14,23,26H,15-17H2,(H,31,34)(H,32,33)/t23-,26+,29-/m1/s1
Definition date:2008-10-27
Last modified:2011-06-04
Identifier:(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid
64T
64T
Name:5-HYDROXY-THYMIDINE-5'-MONOPHOSPHATE
Formula:C10 H17 N2 O9 P
SMILES:O=C1N(CC(O)(C(=O)N1)C)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H17N2O9P/c1-10(16)4-12(9(15)11-8(10)14)7-2-5(13)6(21-7)3-20-22(17,18)19/h5-7,13,16H,2-4H2,1H3,(H,11,14,15)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1
Definition date:2001-11-27
Last modified:2011-06-04
Identifier:5-hydroxythymidine 5'-(dihydrogen phosphate)
651
651
Name:(3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
Formula:C19 H21 N O
SMILES:O[C]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4
InChi:InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2/t19-/m0/s1
Definition date:2010-01-29
Last modified:2011-06-04
Identifier:(3R)-3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
665
665
Name:(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Formula:C17 H21 Br N2 O2
SMILES:Brc1cccc(c1)NC(=O)C3CC(=O)N(C2CCCCC2)C3
InChi:InChI=1S/C17H21BrN2O2/c18-13-5-4-6-14(10-13)19-17(22)12-9-16(21)20(11-12)15-7-2-1-3-8-15/h4-6,10,12,15H,1-3,7-9,11H2,(H,19,22)/t12-/m0/s1
Definition date:2006-06-14
Last modified:2011-06-04
Identifier:(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
677
677
Name:(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
Formula:C18 H16 F3 N3 O2 S
SMILES:O=S(=O)(c2cc1nc4n(c1cc2)CC(N)C(c3cc(F)c(F)cc3F)C4)C
InChi:InChI=1S/C18H16F3N3O2S/c1-27(25,26)9-2-3-17-16(4-9)23-18-6-11(15(22)8-24(17)18)10-5-13(20)14(21)7-12(10)19/h2-5,7,11,15H,6,8,22H2,1H3/t11-,15+/m1/s1
Definition date:2009-05-05
Last modified:2011-06-04
Identifier:(2R,3R)-7-(methylsulfonyl)-3-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-2-amine
68H
68H
Name:SALBUTAMOL
Formula:C13 H21 N O3
SMILES:CC(C)(C)NC[CH](O)c1ccc(O)c(CO)c1
InChi:InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
Definition date:2010-11-30
Last modified:2011-06-04
Identifier:4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol
694
694
Name:4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID
Formula:C13 H9 Br O6 S
SMILES:O=C(O)c2sc(c1ccc(O)cc1)c(Br)c2OCC(=O)O
InChi:InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19)
Definition date:2006-05-30
Last modified:2011-06-04
Identifier:4-bromo-3-(carboxymethoxy)-5-(4-hydroxyphenyl)thiophene-2-carboxylic acid
697
697
Name:5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE
Formula:C15 H9 N O3
SMILES:N#Cc3cc(O)cc1c3oc(c1)c2ccc(O)cc2
InChi:InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H
Definition date:2004-08-17
Last modified:2011-06-04
Identifier:5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
698
698
Name:(2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID
Formula:C24 H30 N2 O5 S
SMILES:O=C(O)C3CC(N(C(=O)c1ccc(cc1)C(C)(C)C)C3c2nccs2)(C(=O)O)CC(C)C
InChi:InChI=1S/C24H30N2O5S/c1-14(2)12-24(22(30)31)13-17(21(28)29)18(19-25-10-11-32-19)26(24)20(27)15-6-8-16(9-7-15)23(3,4)5/h6-11,14,17-18H,12-13H2,1-5H3,(H,28,29)(H,30,31)/t17-,18+,24-/m0/s1
Definition date:2006-12-18
Last modified:2011-06-04
Identifier:(2S,4S,5R)-1-[(4-tert-butylphenyl)carbonyl]-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2,4-dicarboxylic acid
699
699
Name:(2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID
Formula:C22 H22 F3 N O5 S
SMILES:FC(F)(F)c1ccc(cc1)C(=O)N2C(C(=O)O)(CC(C(=O)O)C2c3sccc3)CC(C)C
InChi:InChI=1S/C22H22F3NO5S/c1-12(2)10-21(20(30)31)11-15(19(28)29)17(16-4-3-9-32-16)26(21)18(27)13-5-7-14(8-6-13)22(23,24)25/h3-9,12,15,17H,10-11H2,1-2H3,(H,28,29)(H,30,31)/t15-,17+,21-/m0/s1
Definition date:2006-12-18
Last modified:2011-06-04
Identifier:(2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-yl-1-{[4-(trifluoromethyl)phenyl]carbonyl}pyrrolidine-2,4-dicarboxylic acid
6AU
6AU
Name:6-acetyluridine 5'-phosphate
Formula:C11 H15 N2 O10 P
SMILES:O=C(C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C11H15N2O10P/c1-4(14)5-2-7(15)12-11(18)13(5)10-9(17)8(16)6(23-10)3-22-24(19,20)21/h2,6,8-10,16-17H,3H2,1H3,(H,12,15,18)(H2,19,20,21)/t6-,8-,9-,10-/m1/s1
Definition date:2008-10-23
Last modified:2011-06-04
Identifier:6-acetyluridine 5'-(dihydrogen phosphate)
6EA
6EA
Name:(1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE
Formula:C24 H21 N5 O
SMILES:n1ccc(cc1)c2nc5c(cc2)c(OCC(N)Cc4c3ccccc3nc4)cnc5
InChi:InChI=1S/C24H21N5O/c25-18(11-17-12-28-22-4-2-1-3-19(17)22)15-30-24-14-27-13-23-20(24)5-6-21(29-23)16-7-9-26-10-8-16/h1-10,12-14,18,28H,11,15,25H2/t18-/m0/s1
Definition date:2005-12-23
Last modified:2011-06-04
Identifier:(2S)-1-(1H-indol-3-yl)-3-[(2-pyridin-4-yl-1,7-naphthyridin-5-yl)oxy]propan-2-amine
6HA
6HA
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(ADENIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C11 H16 N5 O6 P
SMILES:O=P(O)(O)OCC3OCC(n1cnc2c(ncnc12)N)CC3O
InChi:InChI=1S/C11H16N5O6P/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(17)8(21-2-6)3-22-23(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
6HC
6HC
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(CYTOSIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C10 H16 N3 O7 P
SMILES:O=C1N=C(N)C=CN1C2CC(O)C(OC2)COP(=O)(O)O
InChi:InChI=1S/C10H16N3O7P/c11-9-1-2-13(10(15)12-9)6-3-7(14)8(19-4-6)5-20-21(16,17)18/h1-2,6-8,14H,3-5H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-,8+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
6HG
6HG
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C11 H16 N5 O7 P
SMILES:O=C2NC(=Nc1n(cnc12)C3CC(O)C(OC3)COP(=O)(O)O)N
InChi:InChI=1S/C11H16N5O7P/c12-11-14-9-8(10(18)15-11)13-4-16(9)5-1-6(17)7(22-2-5)3-23-24(19,20)21/h4-7,17H,1-3H2,(H2,19,20,21)(H3,12,14,15,18)/t5-,6-,7+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
6HI
6HI
Name:(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
Formula:C27 H31 F2 N3 O5
SMILES:O=C(NCc1ccc(F)cc1)c2nc(c(n2C(C)C)CCC(O)CC(O)CC(=O)O)c3ccc(F)cc3
InChi:InChI=1S/C27H31F2N3O5/c1-16(2)32-23(12-11-21(33)13-22(34)14-24(35)36)25(18-5-9-20(29)10-6-18)31-26(32)27(37)30-15-17-3-7-19(28)8-4-17/h3-10,16,21-22,33-34H,11-15H2,1-2H3,(H,30,37)(H,35,36)/t21-,22-/m1/s1
Definition date:2008-02-27
Last modified:2011-06-04
Identifier:(3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]-4-(4-fluorophenyl)-1-(1-methylethyl)-1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid
6HT
6HT
Name:1',5'-ANHYDRO-2',3'-DIDEOXY-2'-(THYMIN-1-YL)-6'-O-PHOSPHORYL-D-ARABINO-HEXITOL
Formula:C11 H17 N2 O8 P
SMILES:O=C1NC(=O)N(C=C1C)C2CC(O)C(OC2)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)7-2-8(14)9(20-4-7)5-21-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8-,9+/m0/s1
Definition date:1999-07-23
Last modified:2011-06-04
Identifier:1,5-anhydro-2,3-dideoxy-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-arabino-hexitol
6IA
6IA
Name:N6-ISOPENTENYL-ADENOSINE-5'-MONOPHOSPHATE
Formula:C15 H24 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCC(C)C)C(O)C3O
InChi:InChI=1S/C15H24N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h6-9,11-12,15,21-22H,3-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1
Definition date:2001-01-19
Last modified:2011-06-04
Identifier:N-(3-methylbutyl)adenosine 5'-(dihydrogen phosphate)
6IP
6IP
Name:6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-2-AMINE
Formula:C15 H15 N3
SMILES:n1c(N)cccc1CCc2ccc3c(c2)ncc3
InChi:InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)
Definition date:2007-01-12
Last modified:2011-06-04
Identifier:6-[2-(1H-indol-6-yl)ethyl]pyridin-2-amine
6MA
6MA
Name:N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
Formula:C11 H16 N5 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O
InChi:InChI=1S/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:2003-02-05
Last modified:2011-06-04
Identifier:2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)
6MI
6MI
Name:6-METHYL-8-(2-DEOXY-RIBOFURANOSYL)ISOXANTHOPTERIDINE
Formula:C12 H16 N5 O8 P
SMILES:O=C2N=C(N)NC=1N(C(=O)C(=NC=12)C)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C12H16N5O8P/c1-4-11(20)17(9-8(14-4)10(19)16-12(13)15-9)7-2-5(18)6(25-7)3-24-26(21,22)23/h5-7,18H,2-3H2,1H3,(H2,21,22,23)(H3,13,15,16,19)/t5?,6-,7-/m1/s1
Definition date:2003-06-03
Last modified:2011-06-04
Identifier:2-amino-8-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-6-methylpteridine-4,7(1H,8H)-dione
6MR
6MR
Name:N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]-D-TRYPTOPHAN
Formula:C23 H19 I N2 O4 S
SMILES:Ic1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(C(=O)O)Cc4c3ccccc3nc4
InChi:InChI=1S/C23H19IN2O4S/c24-18-9-5-15(6-10-18)16-7-11-19(12-8-16)31(29,30)26-22(23(27)28)13-17-14-25-21-4-2-1-3-20(17)21/h1-12,14,22,25-26H,13H2,(H,27,28)/t22-/m1/s1
Definition date:2007-02-16
Last modified:2011-06-04
Identifier:N-[(4'-iodobiphenyl-4-yl)sulfonyl]-D-tryptophan

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