 | | CGP | | Name: | 2'-DEOXYCYTIDINE-2'-DEOXYGUANOSINE-3',5'-MONOPHOSPHATE | | Formula: | C19 H25 N8 O10 P | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)O3 | | InChi: | InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2S,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate |
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 | | CH | | Name: | N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H15 N3 O8 P | | SMILES: | O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-cytidylic acid |
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 | | CH1 | | Name: | 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE | | Formula: | C9 H16 N3 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2 | | InChi: | InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Definition date: | 2002-10-24 | | Last modified: | 2011-06-04 | | Identifier: | 3'-deoxycytidine 5'-(tetrahydrogen triphosphate) |
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 | | CHB | | Name: | 3-CHLORO-4-HYDROXYBENZOIC ACID | | Formula: | C7 H5 Cl O3 | | SMILES: | Clc1cc(C(=O)O)ccc1O | | InChi: | InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-chloro-4-hydroxybenzoic acid |
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 | | CHI | | Name: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE | | Formula: | C23 H23 Cl F N3 O3 | | SMILES: | O=C(N1CCC(O)CC1)C(NC(=O)c3cc2cc(Cl)ccc2n3)Cc4ccc(F)cc4 | | InChi: | InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1 | | Definition date: | 1999-10-18 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-N-[(1S)-1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-indole-2-carboxamide |
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 | | CHX | | Name: | CYCLOHEXANE | | Formula: | C6 H12 | | SMILES: | C1CCCCC1 | | InChi: | InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | cyclohexane |
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 | | CID | | Name: | 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME | | Formula: | C19 H12 Cl3 N3 O S | | SMILES: | Clc1ccc(cc1Cl)CON=Cc3n4ccsc4nc3c2ccc(Cl)cc2 | | InChi: | InChI=1S/C19H12Cl3N3OS/c20-14-4-2-13(3-5-14)18-17(25-7-8-27-19(25)24-18)10-23-26-11-12-1-6-15(21)16(22)9-12/h1-10H,11H2/b23-10+ | | Definition date: | 2004-11-17 | | Last modified: | 2011-06-04 | | Identifier: | 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime |
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 | | CII | | Name: | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | | Formula: | C17 H25 N3 O2 | | SMILES: | O=C(Nc1ccncc1)C(NC(=O)C2CCCCC2)C(C)C | | InChi: | InChI=1S/C17H25N3O2/c1-12(2)15(17(22)19-14-8-10-18-11-9-14)20-16(21)13-6-4-3-5-7-13/h8-13,15H,3-7H2,1-2H3,(H,20,21)(H,18,19,22)/t15-/m0/s1 | | Definition date: | 2008-08-12 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide |
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 | | CIN | | Name: | 4-CARBOXYCINNAMIC ACID | | Formula: | C10 H8 O4 | | SMILES: | O=C(O)c1ccc(C=CC(=O)O)cc1 | | InChi: | InChI=1S/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-3+ | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(E)-2-carboxyethenyl]benzoic acid |
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 | | CIP | | Name: | INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE | | Formula: | C7 H13 O7 P | | SMILES: | O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O | | InChi: | InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3aR,4S,5R,6S,7R,7aR)octahydro-1,2-benzoxaphosphole-2,4,5,6,7-pentol 2-oxide |
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 | | CIW | | Name: | 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid | | Formula: | C17 H12 Cl N O5 | | SMILES: | Clc1cc2c(cc1)N(C(=O)C2)Cc3ccc4OCOc4c3C(=O)O | | InChi: | InChI=1S/C17H12ClNO5/c18-11-2-3-12-10(5-11)6-14(20)19(12)7-9-1-4-13-16(24-8-23-13)15(9)17(21)22/h1-5H,6-8H2,(H,21,22) | | Definition date: | 2010-06-25 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(5-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid |
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 | | CJZ | | Name: | 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid | | Formula: | C13 H9 Cl2 N O3 | | SMILES: | Clc1cc(cc(Cl)c1O)Nc2ccccc2C(=O)O | | InChi: | InChI=1S/C13H9Cl2NO3/c14-9-5-7(6-10(15)12(9)17)16-11-4-2-1-3-8(11)13(18)19/h1-6,16-17H,(H,18,19) | | Definition date: | 2010-03-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid |
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 | | CKI | | Name: | N-(2-AMINOETHYL)-5-CHLOROISOQUINOLINE-8-SULFONAMIDE | | Formula: | C11 H12 Cl N3 O2 S | | SMILES: | O=S(=O)(c1c2c(c(Cl)cc1)ccnc2)NCCN | | InChi: | InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-(2-aminoethyl)-5-chloroisoquinoline-8-sulfonamide |
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 | | CKK | | Name: | N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide | | Formula: | C27 H27 F2 N7 O3 | | SMILES: | Fc1ccc(cc1)CC(=O)NC(=O)Nc5ccc(Oc4ncnn2c4c(cc2)CN3CCC(N)CC3)c(F)c5 | | InChi: | InChI=1S/C27H27F2N7O3/c28-19-3-1-17(2-4-19)13-24(37)34-27(38)33-21-5-6-23(22(29)14-21)39-26-25-18(7-12-36(25)32-16-31-26)15-35-10-8-20(30)9-11-35/h1-7,12,14,16,20H,8-11,13,15,30H2,(H2,33,34,37,38) | | Definition date: | 2008-01-25 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide |
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 | | CL4 | | Name: | N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE | | Formula: | C19 H19 N7 O8 | | SMILES: | [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C/C4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C19H19N7O8/c20-16-12-17(23-6-22-16)25(7-24-12)19-15(30)14(29)11(34-19)2-1-3-21-18(31)9-4-8(26(32)33)5-10(27)13(9)28/h1-2,4-7,11,14-15,19,27-30H,3H2,(H,21,31)(H2,20,22,23)/b2-1+/t11-,14-,15-,19-/m1/s1 | | Definition date: | 2001-09-06 | | Last modified: | 2011-06-04 | | Identifier: | 9-[(5E)-5,6,7-trideoxy-7-{[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine |
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 | | CL8 | | Name: | CHLORAMPHENICOL SUCCINATE | | Formula: | C15 H16 Cl2 N2 O8 | | SMILES: | ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)COC(=O)CCC(=O)O | | InChi: | InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1 | | Definition date: | 2008-08-28 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid |
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 | | CL9 | | Name: | 2-chloro-2'-deoxyadenosine | | Formula: | C10 H12 Cl N5 O3 | | SMILES: | Clc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N | | InChi: | InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 | | Definition date: | 2008-02-18 | | Last modified: | 2011-06-04 | | Identifier: | 2-chloro-2'-deoxyadenosine |
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 | | CLK | | Name: | ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL | | Formula: | C11 H14 Cl2 N2 O3 | | SMILES: | ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO | | InChi: | InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1 | | Definition date: | 2001-12-15 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1R,2R)-2-(4-aminophenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloroacetamide |
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 | | CLM | | Name: | CHLORAMPHENICOL | | Formula: | C11 H12 Cl2 N2 O5 | | SMILES: | ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO | | InChi: | InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide |
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 | | CLR | | Name: | CHOLESTEROL | | Formula: | C27 H46 O | | SMILES: | OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C | | InChi: | InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | | Definition date: | 2002-05-16 | | Last modified: | 2011-06-04 | | Identifier: | (3beta,14beta,17alpha)-cholest-5-en-3-ol |
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 | | CLY | | Name: | CLINDAMYCIN | | Formula: | C18 H33 Cl N2 O5 S | | SMILES: | ClC(C)C(NC(=O)C1N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O | | InChi: | InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1 | | Definition date: | 2001-09-18 | | Last modified: | 2011-06-04 | | Identifier: | methyl 7-chloro-6,7,8-trideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside |
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 | | CM0 | | Name: | 5-(CARBOXYMETHOXY) URIDINE-5'-MONOPHOSPHATE | | Formula: | C11 H15 N2 O12 P | | SMILES: | O=C(O)COC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C11H15N2O12P/c14-6(15)3-23-4-1-13(11(19)12-9(4)18)10-8(17)7(16)5(25-10)2-24-26(20,21)22/h1,5,7-8,10,16-17H,2-3H2,(H,14,15)(H,12,18,19)(H2,20,21,22)/t5-,7-,8-,10-/m1/s1 | | Definition date: | 2007-03-21 | | Last modified: | 2011-06-04 | | Identifier: | 5-(carboxymethoxy)uridine 5'-(dihydrogen phosphate) |
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 | | CM3 | | Name: | (2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL | | Formula: | C29 H32 F N O4 | | SMILES: | Fc5c(O)ccc4OC(c2ccc(OCCN1CCCCC1)cc2)C(c3ccc(O)cc3)C(c45)C | | InChi: | InChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1 | | Definition date: | 2005-01-19 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4S)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol |
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 | | CM4 | | Name: | (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL | | Formula: | C28 H31 N O4 | | SMILES: | Oc1ccc(cc1)C4C(c5c(OC4c3ccc(OCCN2CCCC2)cc3)ccc(O)c5)C | | InChi: | InChI=1S/C28H31NO4/c1-19-25-18-23(31)10-13-26(25)33-28(27(19)20-4-8-22(30)9-5-20)21-6-11-24(12-7-21)32-17-16-29-14-2-3-15-29/h4-13,18-19,27-28,30-31H,2-3,14-17H2,1H3/t19-,27-,28+/m1/s1 | | Definition date: | 2005-01-19 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol |
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 | | CM6 | | Name: | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE | | Formula: | C19 H15 N5 O3 S2 | | SMILES: | O=C(Nc1ccncc1)C(c2ccccc2)NS(=O)(=O)c3cccc4nsnc34 | | InChi: | InChI=1S/C19H15N5O3S2/c25-19(21-14-9-11-20-12-10-14)17(13-5-2-1-3-6-13)24-29(26,27)16-8-4-7-15-18(16)23-28-22-15/h1-12,17,24H,(H,20,21,25)/t17-/m0/s1 | | Definition date: | 2006-03-17 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-phenyl-N-pyridin-4-ylethanamide |
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