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EZR
EZR
Name:3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
Formula:C26 H27 N7 O
SMILES:O(c1cc(N)ccc1c2cc3c(cc2)c(nn3)c6nc5c(N4CCN(C)CC4)cccc5n6)C
InChi:InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)
Definition date:2008-10-24
Last modified:2011-06-04
Identifier:3-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
EZT
EZT
Name:(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Formula:C27 H29 F3 O2
SMILES:FC(F)(F)c1ccccc1C=CC4(O)CCC5C3C(c2ccc(O)cc2CC3)CCC45C
InChi:InChI=1S/C27H29F3O2/c1-25-13-11-21-20-9-7-19(31)16-18(20)6-8-22(21)24(25)12-15-26(25,32)14-10-17-4-2-3-5-23(17)27(28,29)30/h2-5,7,9-10,14,16,21-22,24,31-32H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,24+,25+,26+/m1/s1
Definition date:2007-03-08
Last modified:2011-06-04
Identifier:(14beta,17alpha)-17-{(E)-2-[2-(trifluoromethyl)phenyl]ethenyl}estra-1(10),2,4-triene-3,17-diol
EZV
EZV
Name:4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
Formula:C25 H25 N7
SMILES:n3nc2cc(c1ccc(N)cc1)ccc2c3c6nc5c(c(N4CCN(C)CC4)ccc5)n6
InChi:InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30)
Definition date:2008-11-04
Last modified:2011-06-04
Identifier:4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
F10
F10
Name:2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
Formula:C18 H14 F N3 O
SMILES:Fc1ccccc1c4nccc(c3cc2C(=O)NCCc2n3)c4
InChi:InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
Definition date:2007-04-18
Last modified:2011-06-04
Identifier:2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
F13
F13
Name:3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
Formula:C14 H10 F N5 O
SMILES:Fc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
InChi:InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
Definition date:2009-02-03
Last modified:2011-06-04
Identifier:3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
F15
F15
Name:PENTADECANOIC ACID
Formula:C15 H30 O2
SMILES:O=C(O)CCCCCCCCCCCCCC
InChi:InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
Definition date:2004-11-16
Last modified:2011-06-04
Identifier:pentadecanoic acid
F16
F16
Name:5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
Formula:C9 H7 N O4 S
SMILES:O=C2C=C(c1cccc(O)c1)S(=O)(=O)N2
InChi:InChI=1S/C9H7NO4S/c11-7-3-1-2-6(4-7)8-5-9(12)10-15(8,13)14/h1-5,11H,(H,10,12)
Definition date:2006-05-04
Last modified:2011-06-04
Identifier:5-(3-hydroxyphenyl)isothiazol-3(2H)-one 1,1-dioxide
F19
F19
Name:2-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATE
Formula:C12 H14 N O6 P S
SMILES:O=P(O)(O)OCCNS(=O)(=O)c2ccc1c(cccc1)c2
InChi:InChI=1S/C12H14NO6PS/c14-20(15,16)19-8-7-13-21(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H2,14,15,16)
Definition date:2006-04-27
Last modified:2011-06-04
Identifier:2-[(naphthalen-2-ylsulfonyl)amino]ethyl dihydrogen phosphate
F2A
F2A
Name:2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine
Formula:C11 H18 N5 O11 P3
SMILES:O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
InChi:InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-28(18,19)5-29(20,21)27-30(22,23)24/h3-4,6-8,17H,1-2,5H2,(H,18,19)(H,20,21)(H2,12,13,14)(H2,22,23,24)/t6-,7+,8+/m0/s1
Definition date:2008-02-04
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine
F2B
F2B
Name:N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:C14 H12 F2 N2 O3 S
SMILES:Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
InChi:InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
Definition date:2000-10-27
Last modified:2011-06-04
Identifier:N-(2,3-difluorobenzyl)-4-sulfamoylbenzamide
F2I
F2I
Name:N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
Formula:C32 H38 F2 I N3 O3
SMILES:Ic1cc(ccc1)CNCC(O)C(NC(=O)c2cc(cc(C(=O)N(CCC)CCC)c2)C)Cc3cc(F)cc(F)c3
InChi:InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1
Definition date:2006-10-17
Last modified:2011-06-04
Identifier:N'-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
F32
F32
Name:(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-3-ONE 1,1-DIOXIDE
Formula:C25 H21 N5 O3 S2
SMILES:O=C6NS(=O)(=O)C(c1ccc(cc1)CC(c2nc3ccccc3n2)Nc4nc5ccccc5s4)C6
InChi:InChI=1S/C25H21N5O3S2/c31-23-14-22(35(32,33)30-23)16-11-9-15(10-12-16)13-20(24-26-17-5-1-2-6-18(17)27-24)29-25-28-19-7-3-4-8-21(19)34-25/h1-12,20,22H,13-14H2,(H,26,27)(H,28,29)(H,30,31)/t20-,22-/m0/s1
Definition date:2006-05-21
Last modified:2011-06-04
Identifier:(5S)-5-{4-[(2S)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-ylamino)ethyl]phenyl}isothiazolidin-3-one 1,1-dioxide
FX3
FX3
Name:5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
Formula:C15 H18 O8
SMILES:O=C(OCC1OC(O)C(O)C1O)C=Cc2ccc(O)c(OC)c2
InChi:InChI=1S/C15H18O8/c1-21-10-6-8(2-4-9(10)16)3-5-12(17)22-7-11-13(18)14(19)15(20)23-11/h2-6,11,13-16,18-20H,7H2,1H3/b5-3+/t11-,13-,14-,15+/m0/s1
Definition date:2007-11-12
Last modified:2011-06-04
Identifier:5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
FYA
FYA
Name:ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]
Formula:C19 H25 N6 O7 P
SMILES:O=P(O)(OCC(N)Cc1ccccc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:InChI=1S/C19H25N6O7P/c20-12(6-11-4-2-1-3-5-11)7-30-33(28,29)31-8-13-15(26)16(27)19(32-13)25-10-24-14-17(21)22-9-23-18(14)25/h1-5,9-10,12-13,15-16,19,26-27H,6-8,20H2,(H,28,29)(H2,21,22,23)/t12-,13+,15+,16+,19+/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-O-[(R)-{[(2S)-2-amino-3-phenylpropyl]oxy}(hydroxy)phosphoryl]adenosine
FYI
FYI
Name:N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
Formula:C22 H34 N5 O9 P
SMILES:O=C(N)C(NC(=O)C(NC(=O)C(CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)CC)CC(=O)N
InChi:InChI=1S/C22H34N5O9P/c1-4-12(2)19(22(32)26-16(20(24)30)11-17(23)28)27-21(31)14(10-18(29)25-3)9-13-5-7-15(8-6-13)36-37(33,34)35/h5-8,12,14,16,19H,4,9-11H2,1-3H3,(H2,23,28)(H2,24,30)(H,25,29)(H,26,32)(H,27,31)(H2,33,34,35)/t12-,14-,16-,19-/m0/s1
Definition date:2009-09-28
Last modified:2011-06-04
Identifier:N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
FYN
FYN
Name:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-9,13,15-TRIHYDROXY-10,10-DIMETHYL-13,15-DIOXIDO-4,8-DIOXO-12,14,16-TRIOXA-3,7-DIAZA-13,15-DIPHOSPHAHEPTADEC-1-YL} THIOFORMATE
Formula:C22 H36 N7 O17 P3 S
SMILES:O=CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21,32-33H,3-8H2,1-2H3,(H,24,31)(H,25,34)(H,38,39)(H,40,41)(H2,23,26,27)(H2,35,36,37)/t12-,15-,16-,17+,21-/m1/s1
Definition date:2007-02-26
Last modified:2011-06-04
Identifier:S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate (non-preferred name)
FYO
FYO
Name:4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
Formula:C13 H8 N6 O3
SMILES:O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC(=O)C=2)CC(=O)N3
InChi:InChI=1S/C13H8N6O3/c14-5-8-1-6(2-9(20)15-8)12-17-13(19-18-12)7-3-10(21)16-11(22)4-7/h1-3H,4H2,(H,15,20)(H,16,21,22)(H,17,18,19)
Definition date:2010-08-23
Last modified:2011-06-04
Identifier:4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
G0G
G0G
Name:N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)
Formula:C30 H31 N3 O4 S2
SMILES:O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccccc2)CNC3)Cc4ccccc4)c5ccccc5
InChi:InChI=1S/C30H31N3O4S2/c34-38(35,27-17-9-3-10-18-27)32(23-25-13-5-1-6-14-25)29-21-31-22-30(29)33(24-26-15-7-2-8-16-26)39(36,37)28-19-11-4-12-20-28/h1-20,29-31H,21-24H2/t29-,30-/m0/s1
Definition date:2007-05-08
Last modified:2011-06-04
Identifier:N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzylbenzenesulfonamide)
G14
G14
Name:2-phenyl-1H-imidazole-4-carboxylic acid
Formula:C10 H8 N2 O2
SMILES:O=C(O)c2nc(c1ccccc1)nc2
InChi:InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
Definition date:2009-03-27
Last modified:2011-06-04
Identifier:2-phenyl-1H-imidazole-4-carboxylic acid
G1C
G1C
Name:5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
Formula:C11 H17 Cl N5 O12 P3
SMILES:O=P(O)(O)C(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:InChI=1S/C11H17ClN5O12P3/c12-10(30(20,21)22)31(23,24)29-32(25,26)27-2-5-4(18)1-6(28-5)17-3-14-7-8(17)15-11(13)16-9(7)19/h3-6,10,18H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t4-,5+,6+,10-/m0/s1
Definition date:2009-09-11
Last modified:2011-06-04
Identifier:5'-O-[(R)-{[(S)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
G1L
G1L
Name:3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
Formula:C12 H13 Cl F3 N O
SMILES:FC(F)(F)c1ccc(NC(=O)C(C)(C)CCl)cc1
InChi:InChI=1S/C12H13ClF3NO/c1-11(2,7-13)10(18)17-9-5-3-8(4-6-9)12(14,15)16/h3-6H,7H2,1-2H3,(H,17,18)
Definition date:2006-09-01
Last modified:2011-06-04
Identifier:3-chloro-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
G1M
G1M
Name:2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine
Formula:C12 H20 N5 O12 P3
SMILES:O=P(O)(O)C(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:InChI=1S/C12H20N5O12P3/c1-5(30(20,21)22)31(23,24)29-32(25,26)27-3-7-6(18)2-8(28-7)17-4-14-9-10(17)15-12(13)16-11(9)19/h4-8,18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,15,16,19)/t5-,6+,7-,8-/m1/s1
Definition date:2009-09-14
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine
G27
G27
Name:(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL
Formula:C15 H23 N O3
SMILES:OCC2CN(CCCc1ccccc1)CC(O)C2O
InChi:InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1
Definition date:2006-04-03
Last modified:2011-06-04
Identifier:(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
G2C
G2C
Name:2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
Formula:C11 H16 Cl2 N5 O12 P3
SMILES:O=P(O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:InChI=1S/C11H16Cl2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-2-5-4(19)1-6(29-5)18-3-15-7-8(18)16-10(14)17-9(7)20/h3-6,19H,1-2H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t4-,5+,6+/m0/s1
Definition date:2009-09-11
Last modified:2011-06-04
Identifier:2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
G2L
G2L
Name:3'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE
Formula:C13 H20 N5 O9 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(OCCOC)C3O)COP(=O)(O)O
InChi:InChI=1S/C13H20N5O9P/c1-24-2-3-25-9-6(4-26-28(21,22)23)27-12(8(9)19)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1
Definition date:2004-10-29
Last modified:2011-06-04
Identifier:3'-O-(2-methoxyethyl)guanosine 5'-(dihydrogen phosphate)

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