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A3T
A3T
Name:3'-deoxy-3'-(L-threonylamino)adenosine
Formula:C14 H21 N7 O5
SMILES:O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)C(O)C
InChi:InChI=1S/C14H21N7O5/c1-5(23)7(15)13(25)20-8-6(2-22)26-14(10(8)24)21-4-19-9-11(16)17-3-18-12(9)21/h3-8,10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/t5-,6-,7+,8-,10-,14-/m1/s1
Definition date:2010-11-18
Last modified:2011-06-04
Identifier:3'-deoxy-3'-(L-threonylamino)adenosine
A40
A40
Name:N2-METHYL 2'-DEOXYADENOSINE 5'-MONOPHOSPHATE
Formula:C11 H17 N6 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)NC)N)CC3O
InChi:InChI=1S/C11H17N6O6P/c1-13-11-15-9(12)8-10(16-11)17(4-14-8)7-2-5(18)6(23-7)3-22-24(19,20)21/h4-7,18H,2-3H2,1H3,(H2,19,20,21)(H3,12,13,15,16)/t5-,6+,7+/m0/s1
Definition date:1995-01-15
Last modified:2011-06-04
Identifier:2'-deoxy-2-(methylamino)adenosine 5'-(dihydrogen phosphate)
A41
A41
Name:5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID
Formula:C14 H13 N O4 S
SMILES:O=S(=O)(Nc1ccc(cc1C(=O)O)C)c2ccccc2
InChi:InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)
Definition date:2005-03-04
Last modified:2011-06-04
Identifier:5-methyl-2-[(phenylsulfonyl)amino]benzoic acid
OGX
OGX
Name:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
Formula:C12 H19 N6 O7 P S
SMILES:O=P(O)(OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)CC3O)NCCS
InChi:InChI=1S/C12H19N6O7PS/c13-11-16-9-8(10(20)17-11)15-12(21)18(9)7-3-5(19)6(25-7)4-24-26(22,23)14-1-2-27/h5-7,19,27H,1-4H2,(H,15,21)(H2,14,22,23)(H3,13,16,17,20)/t5-,6+,7+/m0/s1
Definition date:2009-09-10
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
A43
A43
Name:3'-AMINO DEOXYADENOSINE 5'-MONOPHOSPHATE
Formula:C10 H15 N6 O5 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3N
InChi:InChI=1S/C10H15N6O5P/c11-5-1-7(21-6(5)2-20-22(17,18)19)16-4-15-8-9(12)13-3-14-10(8)16/h3-7H,1-2,11H2,(H2,12,13,14)(H2,17,18,19)/t5-,6+,7+/m0/s1
Definition date:1998-01-28
Last modified:2011-06-04
Identifier:3'-amino-2',3'-dideoxyadenosine 5'-(dihydrogen phosphate)
A45
A45
Name:3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-BENZOIC ACID
Formula:C11 H8 N6 O3
SMILES:O=C(O)c1cc(ccc1)n2nc3nc(nc(O)c3n2)N
InChi:InChI=1S/C11H8N6O3/c12-11-13-8-7(9(18)14-11)15-17(16-8)6-3-1-2-5(4-6)10(19)20/h1-4H,(H,19,20)(H3,12,13,14,16,18)
Definition date:2003-12-19
Last modified:2011-06-04
Identifier:3-(5-amino-7-hydroxy-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid
A46
A46
Name:5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
Formula:C17 H15 Cl N2 O3
SMILES:Clc1cc2c(cc1)nc(c2)C(=O)Nc3ccc(cc3)C(O)CO
InChi:InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1
Definition date:2007-10-18
Last modified:2011-06-04
Identifier:5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
A47
A47
Name:N6-METHOXY ADENOSINE 5'-MONOPHOSPHATE
Formula:C11 H16 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c2ncnc1NOC)CC3O
InChi:InChI=1S/C11H16N5O7P/c1-21-15-10-9-11(13-4-12-10)16(5-14-9)8-2-6(17)7(23-8)3-22-24(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,15)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:2000-02-16
Last modified:2011-06-04
Identifier:2'-deoxy-N-methoxyadenosine 5'-(dihydrogen phosphate)
A4C
A4C
Name:9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-4-CARBOXAMIDE}
Formula:C42 H50 N8 O2
SMILES:O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6
InChi:InChI=1S/C42H50N8O2/c1-49(2)27-25-45-41(51)33-19-13-17-31-37(29-15-7-9-21-35(29)47-39(31)33)43-23-11-5-6-12-24-44-38-30-16-8-10-22-36(30)48-40-32(38)18-14-20-34(40)42(52)46-26-28-50(3)4/h7-10,13-22H,5-6,11-12,23-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,51)(H,46,52)
Definition date:2006-04-17
Last modified:2011-06-04
Identifier:9,9'-(hexane-1,6-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide}
A4L
A4L
Name:9-[(5-(ACETYLAMINO)-6-{[(1S,4R)-8-AMINO-4-[((2R)-6-AMINO-2-{2-[(1S)-5-AMINO-1-FORMYLPENTYL]HYDRAZINO}HEXANOYL)AMINO]-1-(4-AMINOBUTYL)-2,3-DIOXOOCTYL]AMINO}-6-OXOHEXYL)AMINO]-6-CHLORO-2-METHOXYACRIDINIUM
Formula:C46 H73 Cl N11 O7
SMILES:O=CC(NNC(C(=O)NC(C(=O)C(=O)C(NC(=O)C(NC(=O)C)CCCCNc2c1cc(OC)ccc1[nH+]c3c2ccc(Cl)c3)CCCCN)CCCCN)CCCCN)CCCCN
InChi:InChI=1S/C46H72ClN11O7/c1-30(60)53-39(16-7-12-26-52-42-34-20-18-31(47)27-41(34)54-36-21-19-33(65-2)28-35(36)42)45(63)55-37(14-4-9-23-49)43(61)44(62)38(15-5-10-24-50)56-46(64)40(17-6-11-25-51)58-57-32(29-59)13-3-8-22-48/h18-21,27-29,32,37-40,57-58H,3-17,22-26,48-51H2,1-2H3,(H,52,54)(H,53,60)(H,55,63)(H,56,64)/p+1/t32?,37?,38?,39-,40?/m1/s1
Definition date:2004-10-26
Last modified:2011-06-04
Identifier:N~2~-acetyl-N-[8-amino-4-({6-amino-2-[2-(5-amino-1-formylpentyl)hydrazino]hexanoyl}amino)-1-(4-aminobutyl)-2,3-dioxooctyl]-N~6~-(6-chloro-2-methoxyacridinium-9-yl)-D-lysinamide
OHH
OHH
Name:2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID
Formula:C40 H35 N2 O6 P
SMILES:O=C(c2cc1ccccc1cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5c4ccccc4ccc5)P(=O)(O)O)C)CC7
InChi:InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)/t38-/m1/s1
Definition date:2004-05-06
Last modified:2011-06-04
Identifier:[(1R)-2-(3-{methyl[1-(naphthalen-2-ylcarbonyl)piperidin-4-yl]carbamoyl}naphthalen-2-yl)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
OHM
OHM
Name:3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE
Formula:C16 H28 N2 O3
SMILES:O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC
InChi:InChI=1S/C16H28N2O3/c1-2-3-4-5-6-7-8-9-13(19)12-15(20)18-14-10-11-17-16(14)21/h14H,2-12H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
Definition date:2006-11-10
Last modified:2011-06-04
Identifier:3-oxo-N-[(3S)-2-oxopyrrolidin-3-yl]dodecanamide
OHN
OHN
Name:N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
Formula:C16 H27 N O4
SMILES:O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC
InChi:InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
Definition date:2007-03-08
Last modified:2011-06-04
Identifier:3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]dodecanamide
OHO
OHO
Name:CYCLOHEXANE AMINOCARBOXYLIC ACID
Formula:C7 H13 N O2
SMILES:O=C(O)NC1CCCCC1
InChi:InChI=1S/C7H13NO2/c9-7(10)8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H,9,10)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:cyclohexylcarbamic acid
OHP
OHP
Name:(2-HYDROXYPHENYL)ACETIC ACID
Formula:C8 H8 O3
SMILES:O=C(O)Cc1ccccc1O
InChi:InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:2006-10-10
Last modified:2011-06-04
Identifier:(2-hydroxyphenyl)acetic acid
A51
A51
Name:(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one
Formula:C11 H11 N O2
SMILES:O=C/2OCCC2=CNc1ccccc1
InChi:InChI=1S/C11H11NO2/c13-11-9(6-7-14-11)8-12-10-4-2-1-3-5-10/h1-5,8,12H,6-7H2/b9-8+
Definition date:2007-06-28
Last modified:2011-06-04
Identifier:(3E)-3-[(phenylamino)methylidene]dihydrofuran-2(3H)-one
A53
A53
Name:5-{5-[(S)-2-AMINO-3-(1H-INDOL-3-YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1-(1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE
Formula:C29 H25 N5 O2
SMILES:O=C3C(=Cc1cccn1)/c2cc(ccc2N3)c6cc(OCC(N)Cc5c4ccccc4nc5)cnc6
InChi:InChI=1S/C29H25N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-9,11-16,21,32-33H,10,17,30H2,(H,34,35)/b26-13-/t21-/m0/s1
Definition date:2006-04-05
Last modified:2011-06-04
Identifier:(3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}pyridin-3-yl)-3-(1H-pyrrol-2-ylmethylidene)-1,3-dihydro-2H-indol-2-one
A55
A55
Name:N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE
Formula:C15 H14 F2 N4 O2
SMILES:O=C(NCCC2N=C(N)c1c(F)ccc(F)c1N2)c3ccoc3
InChi:InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)/t11-/m1/s1
Definition date:2005-12-05
Last modified:2011-06-04
Identifier:N-{2-[(2R)-4-amino-5,8-difluoro-1,2-dihydroquinazolin-2-yl]ethyl}furan-3-carboxamide
A56
A56
Name:6-(3-BROMO-2-NAPHTHYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Formula:C13 H10 Br N5
SMILES:Brc3c(c1nc(nc(n1)N)N)cc2ccccc2c3
InChi:InChI=1S/C13H10BrN5/c14-10-6-8-4-2-1-3-7(8)5-9(10)11-17-12(15)19-13(16)18-11/h1-6H,(H4,15,16,17,18,19)
Definition date:2007-06-27
Last modified:2011-06-04
Identifier:6-(3-bromonaphthalen-2-yl)-1,3,5-triazine-2,4-diamine
A5A
A5A
Name:'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE
Formula:C13 H19 N7 O7 S
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)C
InChi:InChI=1S/C13H19N7O7S/c1-5(14)12(23)19-28(24,25)26-2-6-8(21)9(22)13(27-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-22H,2,14H2,1H3,(H,19,23)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1
Definition date:2003-01-08
Last modified:2011-06-04
Identifier:5'-O-(L-alanylsulfamoyl)adenosine
A5D
A5D
Name:(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol
Formula:C17 H19 N5 O3 S2
SMILES:n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSSCc4ccccc4)N
InChi:InChI=1S/C17H19N5O3S2/c18-15-12-16(20-8-19-15)22(9-21-12)17-14(24)13(23)11(25-17)7-27-26-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
Definition date:2009-08-19
Last modified:2011-06-04
Identifier:(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol (non-preferred name)
A5M
A5M
Name:2'-AMINE-CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H15 N4 O7 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2N)COP(=O)(O)O
InChi:InChI=1S/C9H15N4O7P/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,14H,3,11H2,(H2,10,12,15)(H2,16,17,18)/t4-,6-,7?,8-/m1/s1
Definition date:2005-03-10
Last modified:2011-06-04
Identifier:2'-amino-2'-deoxycytidine 5'-(dihydrogen phosphate)
A5O
A5O
Name:ADENINE ARABINOSE-5'-PHOSPHATE
Formula:C10 H14 N5 O7 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1
Definition date:2009-10-09
Last modified:2011-06-04
Identifier:9-(5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
OIO
OIO
Name:8-(1H-imidazol-1-yl)octanoic acid
Formula:C11 H18 N2 O2
SMILES:OC(=O)CCCCCCCn1ccnc1
InChi:InChI=1S/C11H18N2O2/c14-11(15)6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9-10H,1-6,8H2,(H,14,15)
Definition date:2009-11-20
Last modified:2011-06-04
Identifier:8-imidazol-1-yloctanoic acid
OIR
OIR
Name:N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE
Formula:C21 H24 N2 O4 S
SMILES:O=C(O)C(NC(=O)C(NC(=O)C(S)Cc1ccccc1)Cc2ccccc2)C
InChi:InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18+/m0/s1
Definition date:2003-11-07
Last modified:2011-06-04
Identifier:N-[(2R)-3-phenyl-2-sulfanylpropanoyl]-L-phenylalanyl-L-alanine

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