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F6A
F6A
Name:N-biphenyl-3-yl-2-(trifluoromethyl)benzamide
Formula:C20 H14 F3 N O
SMILES:FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3ccccc3
InChi:InChI=1S/C20H14F3NO/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,24,25)
Definition date:2010-01-06
Last modified:2011-06-04
Identifier:N-(3-phenylphenyl)-2-(trifluoromethyl)benzamide
I02
I02
Name:3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE
Formula:C28 H30 F N5 O4 S
SMILES:Fc1ccc(cc1)C(NC(=O)c4cc(c2nnc(o2)C(N)(C)Cc3ccccc3)cc(N(C)S(=O)(=O)C)c4)C
InChi:InChI=1S/C28H30FN5O4S/c1-18(20-10-12-23(29)13-11-20)31-25(35)21-14-22(16-24(15-21)34(3)39(4,36)37)26-32-33-27(38-26)28(2,30)17-19-8-6-5-7-9-19/h5-16,18H,17,30H2,1-4H3,(H,31,35)/t18-,28-/m1/s1
Definition date:2006-10-25
Last modified:2011-06-04
Identifier:3-{5-[(1R)-1-amino-1-methyl-2-phenylethyl]-1,3,4-oxadiazol-2-yl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
I06
I06
Name:2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE
Formula:C16 H14 N2 O2
SMILES:O=C2c1c(cccc1)C(=O)N(N2)CCc3ccccc3
InChi:InChI=1S/C16H14N2O2/c19-15-13-8-4-5-9-14(13)16(20)18(17-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
Definition date:2000-02-01
Last modified:2011-06-04
Identifier:2-(2-phenylethyl)-2,3-dihydrophthalazine-1,4-dione
I10
I10
Name:1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE
Formula:C26 H31 N3 O4 S
SMILES:O=S(=O)(c1ncccc1)NCC(O)CNC(=O)C(c3cccc(c2ccccc2)c3)CC(C)C
InChi:InChI=1S/C26H31N3O4S/c1-19(2)15-24(22-12-8-11-21(16-22)20-9-4-3-5-10-20)26(31)28-17-23(30)18-29-34(32,33)25-13-6-7-14-27-25/h3-14,16,19,23-24,29-30H,15,17-18H2,1-2H3,(H,28,31)/t23-,24-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2R)-2-biphenyl-3-yl-N-{(2R)-2-hydroxy-3-[(pyridin-2-ylsulfonyl)amino]propyl}-4-methylpentanamide
I17
I17
Name:2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
Formula:C23 H31 N7
SMILES:n1c(c3ncn(c3nc1NC2CCC(N)CC2)C4CCCC4)NCc5ccccc5
InChi:InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-
Definition date:2000-11-20
Last modified:2011-06-04
Identifier:N~2~-(trans-4-aminocyclohexyl)-N~6~-benzyl-9-cyclopentyl-9H-purine-2,6-diamine
I1N
I1N
Name:(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONE
Formula:C6 H10 O6
SMILES:O=C1C(O)C(O)C(O)C(O)C1O
InChi:InChI=1S/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H/t1-,2-,3+,4-,5-/m0/s1
Definition date:2006-10-09
Last modified:2011-06-04
Identifier:(2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexanone
I2C
I2C
Name:5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
Formula:C19 H23 N6 O10 P
SMILES:O=CCc4nc(O)c(c(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)c4C)C
InChi:InChI=1S/C19H23N6O10P/c1-7-9(3-4-26)22-16(29)8(2)14(7)35-36(31,32)33-5-10-12(27)13(28)18(34-10)25-6-21-11-15(25)23-19(20)24-17(11)30/h4,6,10,12-13,18,27-28H,3,5H2,1-2H3,(H,22,29)(H,31,32)(H3,20,23,24,30)/t10-,12-,13-,18-/m1/s1
Definition date:2008-11-21
Last modified:2011-06-04
Identifier:5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
I3A
I3A
Name:1H-INDOLE-3-CARBALDEHYDE
Formula:C9 H7 N O
SMILES:O=Cc2c1ccccc1nc2
InChi:InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
Definition date:2007-02-14
Last modified:2011-06-04
Identifier:1H-indole-3-carbaldehyde
I3P
I3P
Name:D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE
Formula:C6 H15 O15 P3
SMILES:O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1R,2R,3S,4R,5R,6S)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]
I3S
I3S
Name:(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL
Formula:C6 H15 O15 P3
SMILES:O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3+,4+,5+,6+/m1/s1
Definition date:2005-03-21
Last modified:2011-06-04
Identifier:(1S,2S,3S,4S,5R,6R)-3,5,6-trihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]
I40
I40
Name:9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
Formula:C20 H19 I N2
SMILES:Ic1cccc(c1)CNc2c4c(nc3c2CCCC3)cccc4
InChi:InChI=1S/C20H19IN2/c21-15-7-5-6-14(12-15)13-22-20-16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,22,23)
Definition date:1999-11-17
Last modified:2011-06-04
Identifier:N-(3-iodobenzyl)-1,2,3,4-tetrahydroacridin-9-amine
I46
I46
Name:2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Formula:C14 H9 F2 N3
SMILES:Fc3nccc(c2nncc2c1ccc(F)cc1)c3
InChi:InChI=1S/C14H9F2N3/c15-11-3-1-9(2-4-11)12-8-18-19-14(12)10-5-6-17-13(16)7-10/h1-8H,(H,18,19)
Definition date:2009-05-27
Last modified:2011-06-04
Identifier:2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
I47
I47
Name:2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
Formula:C20 H20 Cl N5 O2
SMILES:O=C(N4CCC(c2nnc(c1ccc(Cl)cc1)c2c3ncncc3)CC4)CO
InChi:InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
Definition date:2009-05-27
Last modified:2011-06-04
Identifier:2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanol
I48
I48
Name:N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE
Formula:C20 H22 N3 O3 S
SMILES:O=S(=O)(c1ccccc1)Nc3cc(cc(OCCNc2cc[nH+]cc2)c3)C
InChi:InChI=1S/C20H21N3O3S/c1-16-13-18(23-27(24,25)20-5-3-2-4-6-20)15-19(14-16)26-12-11-22-17-7-9-21-10-8-17/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)/p+1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:4-[(2-{3-methyl-5-[(phenylsulfonyl)amino]phenoxy}ethyl)amino]pyridinium
I4A
I4A
Name:5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid
Formula:C22 H22 N2 O3
SMILES:O=C(N)c1cc(ccc1)Cn2c4c(c3c2CCCCC3)cccc4C(=O)O
InChi:InChI=1S/C22H22N2O3/c23-21(25)15-7-4-6-14(12-15)13-24-19-11-3-1-2-8-16(19)17-9-5-10-18(20(17)24)22(26)27/h4-7,9-10,12H,1-3,8,11,13H2,(H2,23,25)(H,26,27)
Definition date:2009-01-13
Last modified:2011-06-04
Identifier:5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid
I4P
I4P
Name:(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATE
Formula:C6 H16 O18 P4
SMILES:O=P(OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4+,5-,6+
Definition date:2005-03-18
Last modified:2011-06-04
Identifier:(1R,2R,3r,4S,5S,6s)-3,6-dihydroxycyclohexane-1,2,4,5-tetrayl tetrakis[dihydrogen (phosphate)]
I50
I50
Name:N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
Formula:C19 H21 Cl F3 N5 O2
SMILES:Clc1ccc(c(F)c1CC(=O)NCCONC(=[N@H])N)NCC(F)(F)c2ccccc2
InChi:InChI=1S/C19H21ClF3N5O2/c20-14-6-7-15(27-11-19(22,23)12-4-2-1-3-5-12)17(21)13(14)10-16(29)26-8-9-30-28-18(24)25/h1-7,27H,8-11H2,(H,26,29)(H4,24,25,28)
Definition date:2007-08-29
Last modified:2011-06-04
Identifier:N-[2-(carbamimidamidooxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide
I5A
I5A
Name:5'-deoxy-5'-iodocytidine
Formula:C9 H12 I N3 O4
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2O)CI
InChi:InChI=1S/C9H12IN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
Definition date:2009-10-02
Last modified:2011-06-04
Identifier:5'-deoxy-5'-iodocytidine
I5P
I5P
Name: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+/m0/s1
Definition date:2000-08-04
Last modified:2011-06-04
Identifier:(1S,2R,3S,4R,5S,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
I5S
I5S
Name:ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE
Formula:C20 H22 Cl N3 O3 S
SMILES:Clc1ccc(cc1)COCCNCCNS(=O)(=O)c2cccc3c2ccnc3
InChi:InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
Definition date:2005-09-12
Last modified:2011-06-04
Identifier:N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}amino)ethyl]isoquinoline-5-sulfonamide
I7A
I7A
Name:4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE
Formula:C6 H6 Cl2 N2 O4 S2
SMILES:Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N
InChi:InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
Definition date:2007-05-02
Last modified:2011-06-04
Identifier:4,5-dichlorobenzene-1,3-disulfonamide
I7B
I7B
Name:4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE
Formula:C6 H8 Cl N3 O4 S2
SMILES:O=S(=O)(c1cc(c(cc1Cl)N)S(=O)(=O)N)N
InChi:InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
Definition date:2007-05-02
Last modified:2011-06-04
Identifier:4-amino-6-chlorobenzene-1,3-disulfonamide
I7C
I7C
Name:4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE
Formula:C7 H8 F3 N3 O4 S2
SMILES:O=S(=O)(c1cc(c(cc1N)C(F)(F)F)S(=O)(=O)N)N
InChi:InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
Definition date:2007-05-02
Last modified:2011-06-04
Identifier:4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
IAD
IAD
Name:N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID
Formula:C14 H14 N2 O5
SMILES:O=C(O)CC(C(=O)O)NC(=O)Cc2c1ccccc1nc2
InChi:InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1
Definition date:2001-10-16
Last modified:2011-06-04
Identifier:N-(1H-indol-3-ylacetyl)-L-aspartic acid
IAG
IAG
Name:N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID
Formula:C12 H12 N2 O3
SMILES:O=C(O)CNC(=O)Cc2c1ccccc1nc2
InChi:InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)
Definition date:2001-10-22
Last modified:2011-06-04
Identifier:N-(1H-indol-3-ylacetyl)glycine

223532

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