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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
6NH
6NH
Name:2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
Formula:C17 H14 N6 O
SMILES:[N@H]=C(N)c1ccc2nc(nc2c1)c4nnc(c3ccccc3)c4O
InChi:InChI=1S/C17H14N6O/c18-16(19)10-6-7-11-12(8-10)21-17(20-11)14-15(24)13(22-23-14)9-4-2-1-3-5-9/h1-8,24H,(H3,18,19)(H,20,21)(H,22,23)
Definition date:2006-01-17
Last modified:2011-06-04
Identifier:2-(4-hydroxy-5-phenyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboximidamide
6NI
6NI
Name:6-NITROINDAZOLE
Formula:C7 H5 N3 O2
SMILES:[O-][N+](=O)c1ccc2c(c1)nnc2
InChi:InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
Definition date:2002-07-26
Last modified:2011-06-04
Identifier:6-nitro-1H-indazole
6NP
6NP
Name:6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE
Formula:C30 H27 N5
SMILES:n2nc(cc(c1ccncc1)c2c4cc3ccccc3cc4)N5CC(NCC5)Cc6ccccc6
InChi:InChI=1S/C30H27N5/c1-2-6-22(7-3-1)18-27-21-35(17-16-32-27)29-20-28(24-12-14-31-15-13-24)30(34-33-29)26-11-10-23-8-4-5-9-25(23)19-26/h1-15,19-20,27,32H,16-18,21H2/t27-/m0/s1
Definition date:2005-02-25
Last modified:2011-06-04
Identifier:6-[(3S)-3-benzylpiperazin-1-yl]-3-naphthalen-2-yl-4-pyridin-4-ylpyridazine
Q6W
Q6W
Name:3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide
Formula:C31 H30 N6 O2
SMILES:O=C(NCc1ncccc1)CCc5cc6C(=O)c4cc(c2cn(nc2)C3CCNCC3)cnc4C=Cc6cc5
InChi:InChI=1S/C31H30N6O2/c38-30(35-19-25-3-1-2-12-33-25)9-5-21-4-6-22-7-8-29-28(31(39)27(22)15-21)16-23(17-34-29)24-18-36-37(20-24)26-10-13-32-14-11-26/h1-4,6-8,12,15-18,20,26,32H,5,9-11,13-14,19H2,(H,35,38)
Definition date:2011-01-04
Last modified:2011-06-04
Identifier:3-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)propanamide
6OG
6OG
Name:6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE
Formula:C11 H16 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OC)N)CC3O
InChi:InChI=1S/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
Definition date:2004-04-30
Last modified:2011-06-04
Identifier:9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methoxy-9H-purin-2-amine
Q74
Q74
Name:2-(3-((4,5,7-trifluorobenzo[d]thiazol-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)acetic acid
Formula:C17 H10 F3 N3 O2 S
SMILES:O=C(O)Cn2c1ncccc1c(c2)Cc3nc4c(F)c(F)cc(F)c4s3
InChi:InChI=1S/C17H10F3N3O2S/c18-10-5-11(19)16-15(14(10)20)22-12(26-16)4-8-6-23(7-13(24)25)17-9(8)2-1-3-21-17/h1-3,5-6H,4,7H2,(H,24,25)
Definition date:2009-02-10
Last modified:2011-06-04
Identifier:{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}acetic acid
Q80
Q80
Name:2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
Formula:C22 H21 Cl F3 N3 O2 S
SMILES:FC(F)(F)c1ccc(nc1)SCC2OC(OC2)(Cn3cncc3)CCc4ccc(Cl)cc4
InChi:InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1
Definition date:2009-06-04
Last modified:2011-06-04
Identifier:2-({[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)-5-(trifluoromethyl)pyridine
BX2
BX2
Name:(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
Formula:C23 H24 N6 O
SMILES:O=C2N(C(=NC2(c1cc(nc(c1)CC)CC)c4cccc(c3cncnc3)c4)N)C
InChi:InChI=1S/C23H24N6O/c1-4-19-10-18(11-20(5-2)27-19)23(21(30)29(3)22(24)28-23)17-8-6-7-15(9-17)16-12-25-14-26-13-16/h6-14H,4-5H2,1-3H3,(H2,24,28)/t23-/m0/s1
Definition date:2009-08-17
Last modified:2011-06-04
Identifier:(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one
BXB
BXB
Name:N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
Formula:C15 H11 Cl2 N O3
SMILES:Clc1cccc(Cl)c1C(=O)NCc2ccc3OCOc3c2
InChi:InChI=1S/C15H11Cl2NO3/c16-10-2-1-3-11(17)14(10)15(19)18-7-9-4-5-12-13(6-9)21-8-20-12/h1-6H,7-8H2,(H,18,19)
Definition date:2009-08-13
Last modified:2011-06-04
Identifier:N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
BXZ
BXZ
Name:4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
Formula:C13 H8 Br N O4
SMILES:Brc3cc(c2noc1cc(O)ccc12)c(O)cc3O
InChi:InChI=1S/C13H8BrNO4/c14-9-4-8(10(17)5-11(9)18)13-7-2-1-6(16)3-12(7)19-15-13/h1-5,16-18H
Definition date:2007-12-13
Last modified:2011-06-04
Identifier:4-bromo-6-(6-hydroxy-1,2-benzisoxazol-3-yl)benzene-1,3-diol
BYA
BYA
Name:N-(phenylcarbonyl)-beta-alanine
Formula:C10 H11 N O3
SMILES:O=C(NCCC(=O)O)c1ccccc1
InChi:InChI=1S/C10H11NO3/c12-9(13)6-7-11-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
Definition date:2008-12-11
Last modified:2011-06-04
Identifier:N-(phenylcarbonyl)-beta-alanine
BYM
BYM
Name:(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE
Formula:C11 H5 F2 N O4 S
SMILES:O=C1C(SC(=O)N1)=Cc3ccc2OC(F)(F)Oc2c3
InChi:InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-
Definition date:2005-07-05
Last modified:2011-06-04
Identifier:(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
BYS
BYS
Name:2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-BENZYL-SUCCINIC ACID
Formula:C19 H18 O6
SMILES:O=C(O)C(Cc1ccccc1)C(C(=O)O)Cc2ccc3OCOc3c2
InChi:InChI=1S/C19H18O6/c20-18(21)14(8-12-4-2-1-3-5-12)15(19(22)23)9-13-6-7-16-17(10-13)25-11-24-16/h1-7,10,14-15H,8-9,11H2,(H,20,21)(H,22,23)/t14-,15-/m0/s1
Definition date:2001-07-06
Last modified:2011-06-04
Identifier:(2S,3S)-2-(1,3-benzodioxol-5-ylmethyl)-3-benzylbutanedioic acid
BZA
BZA
Name:1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL
Formula:C18 H16 O3
SMILES:OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O
InChi:InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2S,3S,4S)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol
BZB
BZB
Name:BENZO[B]THIOPHENE-2-BORONIC ACID
Formula:C8 H7 B O2 S
SMILES:OB(O)c2sc1ccccc1c2
InChi:InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
Definition date:1999-08-05
Last modified:2011-06-04
Identifier:1-benzothiophen-2-ylboronic acid
BZF
BZF
Name:BENZOFURAN
Formula:C8 H6 O
SMILES:o2c1ccccc1cc2
InChi:InChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:1-benzofuran
BZI
BZI
Name:BENZIMIDAZOLE
Formula:C7 H6 N2
SMILES:n2c1ccccc1nc2
InChi:InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:1H-benzimidazole
BZM
BZM
Name:BENZOIC ACID PHENYLMETHYLESTER
Formula:C14 H12 O2
SMILES:O=C(OCc1ccccc1)c2ccccc2
InChi:InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
Definition date:2000-03-06
Last modified:2011-06-04
Identifier:benzyl benzoate
BZR
BZR
Name:1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-2,3,4-TRIOL
Formula:C18 H16 O3
SMILES:OC4c2c(c1cc3c(cc1cc2)cccc3)CC(O)C4O
InChi:InChI=1S/C18H16O3/c19-16-9-15-13(17(20)18(16)21)6-5-12-7-10-3-1-2-4-11(10)8-14(12)15/h1-8,16-21H,9H2/t16-,17-,18-/m1/s1
Definition date:2000-11-20
Last modified:2011-06-04
Identifier:(2R,3R,4R)-1,2,3,4-tetrahydrotetraphene-2,3,4-triol
BZS
BZS
Name:L-BENZYLSUCCINIC ACID
Formula:C11 H12 O4
SMILES:O=C(O)CC(C(=O)O)Cc1ccccc1
InChi:InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R)-2-benzylbutanedioic acid

224931

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