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5IN
5IN
Name:N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE
Formula:C28 H33 N5 O6 S
SMILES:O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(C(=[N@H])N)cc1)COCc2ccccc2)CO)Cc3ccccc3
InChi:InChI=1S/C28H33N5O6S/c29-26(30)23-13-11-20(12-14-23)15-31-27(35)25(18-39-17-21-7-3-1-4-8-21)32-28(36)24(16-34)33-40(37,38)19-22-9-5-2-6-10-22/h1-14,24-25,33-34H,15-19H2,(H3,29,30)(H,31,35)(H,32,36)/t24-,25+/m1/s1
Definition date:2004-02-25
Last modified:2011-06-04
Identifier:N-(benzylsulfonyl)-D-seryl-O-benzyl-N-(4-carbamimidoylbenzyl)-L-serinamide
5IU
5IU
Name:5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:C9 H12 I N2 O8 P
SMILES:IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12IN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)
5JZ
5JZ
Name:N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
Formula:C36 H38 N8 O5
SMILES:O=C(N2c1ccccc1CCC2)c3ccc4ncn(c4c3)c5nc(nc(OCC)n5)NC(C(=O)NC)Cc6ccc7OC(OCc7c6)(C)C
InChi:InChI=1S/C36H38N8O5/c1-5-47-35-41-33(39-27(31(45)37-4)18-22-12-15-30-25(17-22)20-48-36(2,3)49-30)40-34(42-35)44-21-38-26-14-13-24(19-29(26)44)32(46)43-16-8-10-23-9-6-7-11-28(23)43/h6-7,9,11-15,17,19,21,27H,5,8,10,16,18,20H2,1-4H3,(H,37,45)(H,39,40,41,42)/t27-/m0/s1
Definition date:2009-05-04
Last modified:2011-06-04
Identifier:N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
5MC
5MC
Name:5-METHYLCYTIDINE-5'-MONOPHOSPHATE
Formula:C10 H16 N3 O8 P
SMILES:O=C1N=C(N)C(=CN1C2OC(C(O)C2O)COP(=O)(O)O)C
InChi:InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5-methylcytidine 5'-(dihydrogen phosphate)
5MR
5MR
Name:NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE
Formula:C30 H29 N4 O5 P
SMILES:O=C(N)C(NC(=O)C(CP(=O)(O)c1ccccc1)Cc3onc(c2ccccc2)c3)Cc5c4ccccc4nc5
InChi:InChI=1S/C30H29N4O5P/c31-29(35)28(16-21-18-32-26-14-8-7-13-25(21)26)33-30(36)22(19-40(37,38)24-11-5-2-6-12-24)15-23-17-27(34-39-23)20-9-3-1-4-10-20/h1-14,17-18,22,28,32H,15-16,19H2,(H2,31,35)(H,33,36)(H,37,38)/t22-,28+/m1/s1
Definition date:2007-02-16
Last modified:2011-06-04
Identifier:Nalpha-{(2S)-3-[(S)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-L-tryptophanamide
5MS
5MS
Name:N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
Formula:C18 H18 N4 O2 S
SMILES:O=S(=O)(Nc1c(ccc(c1)Nc3ncnc(c2ccccc2)c3)C)C
InChi:InChI=1S/C18H18N4O2S/c1-13-8-9-15(10-16(13)22-25(2,23)24)21-18-11-17(19-12-20-18)14-6-4-3-5-7-14/h3-12,22H,1-2H3,(H,19,20,21)
Definition date:2008-10-22
Last modified:2011-06-04
Identifier:N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide
5MU
5MU
Name:5-METHYLURIDINE 5'-MONOPHOSPHATE
Formula:C10 H15 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5-methyluridine 5'-(dihydrogen phosphate)
5MY
5MY
Name:MYO-INOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATE
Formula:C6 H17 O21 P5
SMILES:O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2+,3-,4-,5+,6+
Definition date:2010-03-31
Last modified:2011-06-04
Identifier:(1R,2S,3r,4R,5S,6r)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
5NI
5NI
Name:5-NITROINDAZOLE
Formula:C7 H5 N3 O2
SMILES:[O-][N+](=O)c1cc2c(cc1)nnc2
InChi:InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
Definition date:2002-07-26
Last modified:2011-06-04
Identifier:5-nitro-1H-indazole
5NS
5NS
Name:5-aminonaphthalene-1-sulfonic acid
Formula:C10 H9 N O3 S
SMILES:O=S(=O)(O)c1cccc2c1cccc2N
InChi:InChI=1S/C10H9NO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14/h1-6H,11H2,(H,12,13,14)
Definition date:2008-03-13
Last modified:2011-06-04
Identifier:5-aminonaphthalene-1-sulfonic acid
5PB
5PB
Name:4-[4-(benzyloxy)phenyl]-5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:C23 H18 Cl N3 O3 S
SMILES:Clc1ccc(cc1)C(=O)CSC2=NNC(=O)N2c3ccc(OCc4ccccc4)cc3
InChi:InChI=1S/C23H18ClN3O3S/c24-18-8-6-17(7-9-18)21(28)15-31-23-26-25-22(29)27(23)19-10-12-20(13-11-19)30-14-16-4-2-1-3-5-16/h1-13H,14-15H2,(H,25,29)
Definition date:2010-02-01
Last modified:2011-06-04
Identifier:3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one
5PC
5PC
Name:5(1-PROPYNYL)-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
Formula:C12 H16 N3 O7 P
SMILES:O=C1N=C(N)C(C#CC)=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C12H16N3O7P/c1-2-3-7-5-15(12(17)14-11(7)13)10-4-8(16)9(22-10)6-21-23(18,19)20/h5,8-10,16H,4,6H2,1H3,(H2,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
Definition date:2003-03-11
Last modified:2011-06-04
Identifier:2'-deoxy-5-prop-1-yn-1-ylcytidine 5'-(dihydrogen phosphate)
5PP
5PP
Name:5-PENTYL-2-PHENOXYPHENOL
Formula:C17 H20 O2
SMILES:O(c1ccccc1)c2ccc(cc2O)CCCCC
InChi:InChI=1S/C17H20O2/c1-2-3-5-8-14-11-12-17(16(18)13-14)19-15-9-6-4-7-10-15/h4,6-7,9-13,18H,2-3,5,8H2,1H3
Definition date:2005-10-05
Last modified:2011-06-04
Identifier:5-pentyl-2-phenoxyphenol
5PY
5PY
Name:1-(2'-DEOXY-5'-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYLPYRIMIDIN-2(1H)-ONE
Formula:C10 H15 N2 O7 P
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=CC(=C1)C)CC2O
InChi:InChI=1S/C10H15N2O7P/c1-6-3-11-10(14)12(4-6)9-2-7(13)8(19-9)5-18-20(15,16)17/h3-4,7-9,13H,2,5H2,1H3,(H2,15,16,17)/t7-,8+,9+/m0/s1
Definition date:2006-10-12
Last modified:2011-06-04
Identifier:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-2(1H)-one
5QC
5QC
Name:1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE
Formula:C31 H27 F3 N6 O3
SMILES:FC(F)(F)c7nn(c2cc1c(onc1N)cc2)c6C(=O)N(c5ccc(c3ccccc3CN4CCC(O)C4)cc5)CCc67
InChi:InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1
Definition date:2006-04-06
Last modified:2011-06-04
Identifier:1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one
5SE
5SE
Name:2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
Formula:C10 H16 N3 O7 P Se
SMILES:O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C([Se]C)=C1)CC2O
InChi:InChI=1S/C10H16N3O7PSe/c1-22-7-3-13(10(15)12-9(7)11)8-2-5(14)6(20-8)4-19-21(16,17)18/h3,5-6,8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,6+,8+/m0/s1
Definition date:2009-08-07
Last modified:2011-06-04
Identifier:2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
5UA
5UA
Name:5'-O-CARBOXY-2'-DEOXYADENOSINE
Formula:C11 H13 N5 O5
SMILES:O=C(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C11H13N5O5/c12-9-8-10(14-3-13-9)16(4-15-8)7-1-5(17)6(21-7)2-20-11(18)19/h3-7,17H,1-2H2,(H,18,19)(H2,12,13,14)/t5-,6+,7+/m0/s1
Definition date:2010-04-25
Last modified:2011-06-04
Identifier:5'-O-carboxy-2'-deoxyadenosine
5UD
5UD
Name:5-FLUOROURIDINE
Formula:C9 H11 F N2 O6
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO
InChi:InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
Definition date:2003-12-19
Last modified:2011-06-04
Identifier:5-fluorouridine
5UM
5UM
Name:N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
Formula:C12 H11 F N2 O3 S2
SMILES:O=C(Nc1ccc(cc1F)S(=O)(=O)N)Cc2sccc2
InChi:InChI=1S/C12H11FN2O3S2/c13-10-7-9(20(14,17)18)3-4-11(10)15-12(16)6-8-2-1-5-19-8/h1-5,7H,6H2,(H,15,16)(H2,14,17,18)
Definition date:2011-03-11
Last modified:2011-06-04
Identifier:N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
5UN
5UN
Name:N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
Formula:C12 H12 N2 O3 S2
SMILES:O=C(Nc1ccc(cc1)S(=O)(=O)N)Cc2sccc2
InChi:InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
Definition date:2011-03-11
Last modified:2011-06-04
Identifier:N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
GNP
GNP
Name:PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Formula:C10 H17 N6 O13 P3
SMILES:O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine
G
G
Name:GUANOSINE-5'-MONOPHOSPHATE
Formula:C10 H14 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
InChi:InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-guanylic acid
GNR
GNR
Name:2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE
Formula:C10 H10 N2 O3 S
SMILES:O=C1Nc2c(SC1CC(=O)NO)cccc2
InChi:InChI=1S/C10H10N2O3S/c13-9(12-15)5-8-10(14)11-6-3-1-2-4-7(6)16-8/h1-4,8,15H,5H2,(H,11,14)(H,12,13)/t8-/m1/s1
Definition date:2004-01-08
Last modified:2011-06-04
Identifier:N-hydroxy-2-[(2R)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamide
GNT
GNT
Name:(-)-GALANTHAMINE
Formula:C17 H21 N O3
SMILES:OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)C
InChi:InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:galanthamine
GO0
GO0
Name:3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid
Formula:C11 H7 Cl2 N O4
SMILES:O=C(O)Cc2c1c(c(Cl)ccc1Cl)nc2C(=O)O
InChi:InChI=1S/C11H7Cl2NO4/c12-5-1-2-6(13)10-8(5)4(3-7(15)16)9(14-10)11(17)18/h1-2,14H,3H2,(H,15,16)(H,17,18)
Definition date:2010-05-26
Last modified:2011-06-04
Identifier:3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid

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