 | | BQN | | Name: | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine | | Formula: | C27 H22 F6 N2 O3 S | | SMILES: | O=C(C=Cc3ccc(Sc2ccccc2OCc1cccnc1)c(c3C(F)(F)F)C(F)(F)F)N4CCOCC4 | | InChi: | InChI=1S/C27H22F6N2O3S/c28-26(29,30)24-19(8-10-23(36)35-12-14-37-15-13-35)7-9-22(25(24)27(31,32)33)39-21-6-2-1-5-20(21)38-17-18-4-3-11-34-16-18/h1-11,16H,12-15,17H2/b10-8+ | | Definition date: | 2008-01-03 | | Last modified: | 2011-06-04 | | Identifier: | 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine |
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 | | CXA | | Name: | PHENYLALANINE-N-SULFONAMIDE | | Formula: | C9 H12 N2 O4 S | | SMILES: | O=S(=O)(NC(C(=O)O)Cc1ccccc1)N | | InChi: | InChI=1S/C9H12N2O4S/c10-16(14,15)11-8(9(12)13)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H2,10,14,15)/t8-/m0/s1 | | Definition date: | 2002-07-30 | | Last modified: | 2011-06-04 | | Identifier: | N-sulfamoyl-L-phenylalanine |
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 | | CXF | | Name: | CYCLOHEXYLFORMAMIDE | | Formula: | C7 H13 N O | | SMILES: | O=CNC1CCCCC1 | | InChi: | InChI=1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-cyclohexylformamide |
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 | | CXL | | Name: | CYCLOHEXANOL | | Formula: | C6 H12 O | | SMILES: | OC1CCCCC1 | | InChi: | InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexanol |
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 | | CXO | | Name: | CYCLOHEXANE-1,2-DIONE | | Formula: | C6 H8 O2 | | SMILES: | O=C1C(=O)CCCC1 | | InChi: | InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2 | | Definition date: | 2007-04-20 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexane-1,2-dione |
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 | | CXY | | Name: | CYTIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE | | Formula: | C14 H23 N3 O15 P2 | | SMILES: | O=P(OC1OCC(O)C(O)C1O)(O)OP(=O)(O)OCC3OC(N2C=CC(=NC2=O)N)C(O)C3O | | InChi: | InChI=1S/C14H23N3O15P2/c15-7-1-2-17(14(23)16-7)12-10(21)9(20)6(30-12)4-29-33(24,25)32-34(26,27)31-13-11(22)8(19)5(18)3-28-13/h1-2,5-6,8-13,18-22H,3-4H2,(H,24,25)(H,26,27)(H2,15,16,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1 | | Definition date: | 2005-01-04 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | CXZ | | Name: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol | | Formula: | C19 H20 Cl N3 O4 | | SMILES: | Clc1cc(c(O)cc1O)c4noc3c4cc(NCCN2CCOCC2)cc3 | | InChi: | InChI=1S/C19H20ClN3O4/c20-15-10-13(16(24)11-17(15)25)19-14-9-12(1-2-18(14)27-22-19)21-3-4-23-5-7-26-8-6-23/h1-2,9-11,21,24-25H,3-8H2 | | Definition date: | 2007-12-14 | | Last modified: | 2011-06-04 | | Identifier: | 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol |
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 | | CYE | | Name: | 45-(3-AMINOPROPYL)-5,11,22,28,34-PENTAMETHYL-3,9,15,20,26,32,38,43-OCTAOXO-2,5,8,14,19,22,25,28,31,34,37,42,45,48-TETRADECAAZA-11-AZONIAHEPTACYCLO[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]DOPENTACONTA-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-DODECAENE | | Formula: | C45 H55 N16 O8 | | SMILES: | O=C6Nc1cc(n(c1)C)C(=O)Nc2cc(n(c2)C)C(=O)NCCCC(=O)Nc3c[n+](c(c3)C(=O)Nc4cc(n(c4)C)C(=O)Nc5cc(n(c5)CCCN)C(=O)NCCCC(=O)Nc7nc6n(c7)C)C | | InChi: | InChI=1S/C45H54N16O8/c1-56-21-27-16-31(56)40(64)47-12-6-9-37(62)49-26-15-32(57(2)20-26)42(66)51-28-17-33(58(3)22-28)44(68)52-30-19-35(61(24-30)14-8-11-46)41(65)48-13-7-10-38(63)54-36-25-60(5)39(55-36)45(69)53-29-18-34(43(67)50-27)59(4)23-29/h15-25H,6-14,46H2,1-5H3,(H,47,64)(H,48,65)(H,49,62)(H,50,67)(H,51,66)(H,52,68)(H,53,69)(H,54,63)/p+1 | | Definition date: | 2003-06-23 | | Last modified: | 2011-06-04 | | Identifier: | (11S)-45-(3-aminopropyl)-5,11,22,28,34-pentamethyl-3,9,15,20,26,32,38,43-octaoxo-2,5,8,14,19,22,25,28,31,34,37,42,45,48-tetradecaaza-11-azoniaheptacyclo[42.2.1.1~4,7~.1~10,13~.1~21,24~.1~27,30~.1~33,36~]dopentaconta-1(46),4(52),6,10(51),12,21(50),23,27(49),29,33(48),35,44(47)-dodecaene |
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 | | CYH | | Name: | CYCLOHEXANONE | | Formula: | C6 H10 O | | SMILES: | O=C1CCCCC1 | | InChi: | InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexanone |
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 | | CYK | | Name: | N-hexanoyl-L-homocysteine | | Formula: | C10 H19 N O3 S | | SMILES: | O=C(O)C(NC(=O)CCCCC)CCS | | InChi: | InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1 | | Definition date: | 2008-06-18 | | Last modified: | 2011-06-04 | | Identifier: | N-hexanoyl-L-homocysteine |
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 | | CYY | | Name: | 2-DEOXYSTREPTAMINE | | Formula: | C6 H14 N2 O3 | | SMILES: | OC1C(N)CC(N)C(O)C1O | | InChi: | InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6- | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol |
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 | | D15 | | Name: | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide | | Formula: | C24 H22 Cl N5 O2 | | SMILES: | Clc1cccc(c1)C(C(=O)Nc2cc3c(cc2)nnc3NC(=O)c4ccccc4)CCN | | InChi: | InChI=1S/C24H22ClN5O2/c25-17-8-4-7-16(13-17)19(11-12-26)24(32)27-18-9-10-21-20(14-18)22(30-29-21)28-23(31)15-5-2-1-3-6-15/h1-10,13-14,19H,11-12,26H2,(H,27,32)(H2,28,29,30,31)/t19-/m0/s1 | | Definition date: | 2008-06-30 | | Last modified: | 2011-06-04 | | Identifier: | N-(5-{[(2S)-4-amino-2-(3-chlorophenyl)butanoyl]amino}-1H-indazol-3-yl)benzamide |
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 | | D17 | | Name: | N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid | | Formula: | C23 H21 N3 O6 S2 | | SMILES: | O=C1C(SC(=S)N1)=Cc3ccc(NCc2cc(C(=O)NC(C(=O)O)CCC(=O)O)ccc2)cc3 | | InChi: | InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-11-/t17-/m0/s1 | | Definition date: | 2009-05-28 | | Last modified: | 2011-06-04 | | Identifier: | N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid |
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 | | D1B | | Name: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE | | Formula: | C19 H16 N6 S | | SMILES: | n2c1c(cc(C(=[N@H])N)cc1)nc2c3sc(cc3)c4ccc(C(=[N@H])N)cc4 | | InChi: | InChI=1S/C19H16N6S/c20-17(21)11-3-1-10(2-4-11)15-7-8-16(26-15)19-24-13-6-5-12(18(22)23)9-14(13)25-19/h1-9H,(H3,20,21)(H3,22,23)(H,24,25) | | Definition date: | 2004-05-19 | | Last modified: | 2011-06-04 | | Identifier: | 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-benzimidazole-6-carboximidamide |
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 | | D20 | | Name: | N~5~-{IMINO[(2-METHOXYETHYL)AMINO]METHYL}-L-ORNITHINE | | Formula: | C9 H20 N4 O3 | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NCCOC | | InChi: | InChI=1S/C9H20N4O3/c1-16-6-5-13-9(11)12-4-2-3-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1 | | Definition date: | 2006-11-29 | | Last modified: | 2011-06-04 | | Identifier: | N~5~-[N-(2-methoxyethyl)carbamimidoyl]-L-ornithine |
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 | | D24 | | Name: | 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN | | Formula: | C28 H28 N4 O | | SMILES: | o1c(ccc1c2ccc(cc2)C(N)NC3C=CC=C3)c4ccc(cc4)C(N)NC5C=CC=C5 | | InChi: | InChI=1S/C28H28N4O/c29-27(31-23-5-1-2-6-23)21-13-9-19(10-14-21)25-17-18-26(33-25)20-11-15-22(16-12-20)28(30)32-24-7-3-4-8-24/h1-18,23-24,27-28,31-32H,29-30H2/t27-,28+ | | Definition date: | 2000-02-03 | | Last modified: | 2011-06-04 | | Identifier: | (R,S)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopenta-2,4-dien-1-ylmethanediamine) |
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 | | D25 | | Name: | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole | | Formula: | C12 H9 N3 O | | SMILES: | n1oc(cc1c2ccccc2)c3nncc3 | | InChi: | InChI=1S/C12H9N3O/c1-2-4-9(5-3-1)11-8-12(16-15-11)10-6-7-13-14-10/h1-8H,(H,13,14) | | Definition date: | 2007-09-26 | | Last modified: | 2011-06-04 | | Identifier: | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole |
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 | | D26 | | Name: | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE | | Formula: | C12 H9 N3 S | | SMILES: | n1cc(sc1c2ccccc2)c3nncc3 | | InChi: | InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15) | | Definition date: | 2007-09-27 | | Last modified: | 2011-06-04 | | Identifier: | 2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole |
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 | | D2G | | Name: | N-METHYL(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | | Formula: | C11 H12 N2 O | | SMILES: | n2cccc(c1oc(cc1)CNC)c2 | | InChi: | InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3 | | Definition date: | 2005-12-15 | | Last modified: | 2011-06-04 | | Identifier: | N-methyl-1-(5-pyridin-3-ylfuran-2-yl)methanamine |
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 | | D2M | | Name: | 4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol | | Formula: | C16 H18 O6 | | SMILES: | O(c1cc(OC)c(O)c(OC)c1)c2c(OC)cccc2OC | | InChi: | InChI=1S/C16H18O6/c1-18-11-6-5-7-12(19-2)16(11)22-10-8-13(20-3)15(17)14(9-10)21-4/h5-9,17H,1-4H3 | | Definition date: | 2009-01-19 | | Last modified: | 2011-06-04 | | Identifier: | 4-(2,6-dimethoxyphenoxy)-2,6-dimethoxyphenol |
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 | | D2P | | Name: | (2S)-2,3-DICHLOROPROPAN-1-OL | | Formula: | C3 H6 Cl2 O | | SMILES: | ClCC(Cl)CO | | InChi: | InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2/t3-/m1/s1 | | Definition date: | 2004-12-09 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2,3-dichloropropan-1-ol |
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 | | D2Q | | Name: | ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate | | Formula: | C23 H29 N5 O4 | | SMILES: | O=C(OCC)CCCCOc1ccc(OC)cc1Cc2c(c3c(nc2)nc(nc3N)N)C | | InChi: | InChI=1S/C23H29N5O4/c1-4-31-19(29)7-5-6-10-32-18-9-8-17(30-3)12-15(18)11-16-13-26-22-20(14(16)2)21(24)27-23(25)28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H4,24,25,26,27,28) | | Definition date: | 2010-07-19 | | Last modified: | 2011-06-04 | | Identifier: | ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate |
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 | | D3 | | Name: | 1-(2-DEOXY-BETA-D-RIBOFURANOSYL)-4-(3-BENZAMIDO)PHENYLIMIDAZOLE | | Formula: | C21 H22 N3 O7 P | | SMILES: | O=C(c1ccccc1)Nc4cccc(c2ncn(c2)C3OC(C(O)C3)COP(=O)(O)O)c4 | | InChi: | InChI=1S/C21H22N3O7P/c25-18-10-20(31-19(18)12-30-32(27,28)29)24-11-17(22-13-24)15-7-4-8-16(9-15)23-21(26)14-5-2-1-3-6-14/h1-9,11,13,18-20,25H,10,12H2,(H,23,26)(H2,27,28,29)/t18-,19+,20+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-{3-[(phenylcarbonyl)amino]phenyl}-1H-imidazole |
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 | | D32 | | Name: | (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid | | Formula: | C27 H23 F3 O5 S | | SMILES: | FC(F)(F)c3ccc(OCc2ccc(Sc1c(c(c(OCC(=O)O)cc1)C)C)c(OCC#C)c2)cc3 | | InChi: | InChI=1S/C27H23F3O5S/c1-4-13-33-23-14-19(15-34-21-8-6-20(7-9-21)27(28,29)30)5-11-25(23)36-24-12-10-22(17(2)18(24)3)35-16-26(31)32/h1,5-12,14H,13,15-16H2,2-3H3,(H,31,32) | | Definition date: | 2009-04-07 | | Last modified: | 2011-06-04 | | Identifier: | (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid |
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 | | D33 | | Name: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole | | Formula: | C8 H13 N2 O6 P | | SMILES: | O=P(O)(O)OCC2OC(n1cncc1)CC2O | | InChi: | InChI=1S/C8H13N2O6P/c11-6-3-8(10-2-1-9-5-10)16-7(6)4-15-17(12,13)14/h1-2,5-8,11H,3-4H2,(H2,12,13,14)/t6-,7+,8+/m0/s1 | | Definition date: | 2008-07-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole |
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