 | | 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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 | | MMU | | Name: | 1,3-dimethylurea | | Formula: | C3 H8 N2 O | | SMILES: | O=C(NC)NC | | InChi: | InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6) | | Definition date: | 2009-10-07 | | Last modified: | 2011-06-04 | | Identifier: | 1,3-dimethylurea |
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 | | L1C | | Name: | (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide | | Formula: | C28 H22 Cl F2 N5 O4 | | SMILES: | Clc1ccc(cc1)NC(=O)N3CC(O)(c2ccc(F)cc2F)CC3C(=O)Nc4ncc(cc4)N5C=CC=CC5=O | | InChi: | InChI=1S/C28H22ClF2N5O4/c29-17-4-7-19(8-5-17)33-27(39)36-16-28(40,21-10-6-18(30)13-22(21)31)14-23(36)26(38)34-24-11-9-20(15-32-24)35-12-2-1-3-25(35)37/h1-13,15,23,40H,14,16H2,(H,33,39)(H,32,34,38)/t23-,28-/m1/s1 | | Definition date: | 2008-11-12 | | Last modified: | 2011-06-04 | | Identifier: | (2R,4S)-N~1~-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N~2~-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide |
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 | | BAH | | Name: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | | Formula: | C17 H18 N8 O2 | | SMILES: | n1c4ccc(C(=[NH2+])N)cc4nc1C(O)(O)c3nc2ccc(cc2n3)C(=[NH2+])N | | InChi: | InChI=1S/C17H16N8O2/c18-13(19)7-1-3-9-11(5-7)24-15(22-9)17(26,27)16-23-10-4-2-8(14(20)21)6-12(10)25-16/h1-6,26-27H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2 | | Definition date: | 1999-07-28 | | Last modified: | 2011-06-04 | | Identifier: | [(dihydroxymethanediyl)bis(1H-benzimidazole-2,6-diyl)]bis(aminomethaniminium) |
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 | | NTS | | Name: | NAPHTHALENE TRISULFONATE | | Formula: | C10 H5 O9 S3 | | SMILES: | [O-]S(=O)(=O)c1cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(=O)=O | | InChi: | InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)/p-3 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | naphthalene-1,3,6-trisulfonate |
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 | | QQQ | | Name: | 1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid | | Formula: | C10 H12 N2 O3 S | | SMILES: | O=S(=O)(O)c2nc1ccccc1n2C(C)C | | InChi: | InChI=1S/C10H12N2O3S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)16(13,14)15/h3-7H,1-2H3,(H,13,14,15) | | Definition date: | 2009-03-17 | | Last modified: | 2011-06-04 | | Identifier: | 1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid |
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 | | L1D | | Name: | (2R,4S)-N^1^-(4-chlorophenyl)-N^2^-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide | | Formula: | C29 H24 Cl F N4 O4 | | SMILES: | Clc1ccc(cc1)NC(=O)N3CC(O)(c2ccccc2)CC3C(=O)Nc4c(F)cc(cc4)N5C=CC=CC5=O | | InChi: | InChI=1S/C29H24ClFN4O4/c30-20-9-11-21(12-10-20)32-28(38)35-18-29(39,19-6-2-1-3-7-19)17-25(35)27(37)33-24-14-13-22(16-23(24)31)34-15-5-4-8-26(34)36/h1-16,25,39H,17-18H2,(H,32,38)(H,33,37)/t25-,29-/m1/s1 | | Definition date: | 2008-11-12 | | Last modified: | 2011-06-04 | | Identifier: | (2R,4S)-N~1~-(4-chlorophenyl)-N~2~-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide |
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 | | LEW | | Name: | 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole | | Formula: | C18 H19 N3 O5 | | SMILES: | n1nn(cc1c3c2ccccc2ccc3)C4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C18H19N3O5/c22-9-14-15(23)16(24)17(25)18(26-14)21-8-13(19-20-21)12-7-3-5-10-4-1-2-6-11(10)12/h1-8,14-18,22-25H,9H2/t14-,15-,16+,17-,18-/m1/s1 | | Definition date: | 2009-02-05 | | Last modified: | 2011-06-04 | | Identifier: | 1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole |
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 | | KMB | | Name: | 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE | | Formula: | C16 H16 N4 O S | | SMILES: | O=C1c2c(N=C(N1)N)c(cc(c2)CN)CSc3ccccc3 | | InChi: | InChI=1S/C16H16N4OS/c17-8-10-6-11(9-22-12-4-2-1-3-5-12)14-13(7-10)15(21)20-16(18)19-14/h1-7H,8-9,17H2,(H3,18,19,20,21) | | Definition date: | 2003-08-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-6-(aminomethyl)-8-[(phenylsulfanyl)methyl]quinazolin-4(3H)-one |
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 | | BAK | | Name: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | | Formula: | C17 H16 N8 O | | SMILES: | O=C(c2nc1ccc(cc1n2)C(=[NH2+])N)c3nc4ccc(C(=[NH2+])N)cc4n3 | | InChi: | InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25)/p+2 | | Definition date: | 1999-07-28 | | Last modified: | 2011-06-04 | | Identifier: | [carbonylbis(1H-benzimidazole-2,6-diyl)]bis(aminomethaniminium) |
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 | | MMY | | Name: | 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine | | Formula: | C19 H20 N8 O | | SMILES: | n1c4c(c(nc1N2CCOCC2)c3cnc(nc3)N)CCN4c5cccnc5 | | InChi: | InChI=1S/C19H20N8O/c20-18-22-10-13(11-23-18)16-15-3-5-27(14-2-1-4-21-12-14)17(15)25-19(24-16)26-6-8-28-9-7-26/h1-2,4,10-12H,3,5-9H2,(H2,20,22,23) | | Definition date: | 2010-10-29 | | Last modified: | 2011-06-04 | | Identifier: | 5-[2-(morpholin-4-yl)-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine |
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 | | N24 | | Name: | (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one | | Formula: | C15 H11 Br Cl N O2 S | | SMILES: | Clc3cc(N2C(=O)CSC2c1cc(Br)ccc1)c(O)cc3 | | InChi: | InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1 | | Definition date: | 2008-07-31 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one |
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 | | BAN | | Name: | HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE | | Formula: | C21 H23 N5 O7 | | SMILES: | O=C(Nc1ccc(cc1)[N+]([O-])=O)CNC(=O)C(NC(=O)C(C(=O)NO)Cc2ccccc2)C | | InChi: | InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S)-2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]-L-alanyl-N-(4-nitrophenyl)glycinamide |
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 | | BAO | | Name: | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | | Formula: | C17 H14 N8 O | | SMILES: | O=C(c2nc1ccc(cc1n2)C(=[N@H])N)c3nc4ccc(C(=[N@H])N)cc4n3 | | InChi: | InChI=1S/C17H14N8O/c18-14(19)7-1-3-9-11(5-7)24-16(22-9)13(26)17-23-10-4-2-8(15(20)21)6-12(10)25-17/h1-6H,(H3,18,19)(H3,20,21)(H,22,24)(H,23,25) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2,2'-carbonylbis(1H-benzimidazole-6-carboximidamide) |
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 | | TZC | | Name: | 1,2,4-TRIAZOLE-CARBOXAMIDINE | | Formula: | C3 H6 N5 | | SMILES: | n1cnn(C(=[NH2+])N)c1 | | InChi: | InChI=1S/C3H5N5/c4-3(5)8-2-6-1-7-8/h1-2H,(H3,4,5)/p+1 | | Definition date: | 1999-12-16 | | Last modified: | 2011-06-04 | | Identifier: | amino(1H-1,2,4-triazol-1-yl)methaniminium |
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 | | BAP | | Name: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | | Formula: | C20 H16 O3 | | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | | InChi: | InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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 | | BAU | | Name: | 1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C14 H16 N2 O4 | | SMILES: | O=C1C(=CN(C(=O)N1)COCCO)Cc2ccccc2 | | InChi: | InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19) | | Definition date: | 2004-08-09 | | Last modified: | 2011-06-04 | | Identifier: | 5-benzyl-1-[(2-hydroxyethoxy)methyl]pyrimidine-2,4(1H,3H)-dione |
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 | | OA1 | | Name: | (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE | | Formula: | C10 H7 Br N2 O2 | | SMILES: | O=C(c1cccc(Br)c1)c2oc(nc2)N | | InChi: | InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13) | | Definition date: | 2008-12-18 | | Last modified: | 2011-06-04 | | Identifier: | (2-amino-1,3-oxazol-5-yl)(3-bromophenyl)methanone |
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 | | OA2 | | Name: | 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE | | Formula: | C18 H17 N3 O2 | | SMILES: | O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N | | InChi: | InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20) | | Definition date: | 2008-12-18 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-N,N-dibenzyl-1,3-oxazole-5-carboxamide |
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 | | N2G | | Name: | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) | | Formula: | C21 H22 N5 O7 P | | SMILES: | O=C3c4ncn(c4N=C(NCc2c1ccccc1ccc2)N3)C5OC(C(O)C5)COP(=O)(O)O | | InChi: | InChI=1S/C21H22N5O7P/c27-15-8-17(33-16(15)10-32-34(29,30)31)26-11-23-18-19(26)24-21(25-20(18)28)22-9-13-6-3-5-12-4-1-2-7-14(12)13/h1-7,11,15-17,27H,8-10H2,(H2,29,30,31)(H2,22,24,25,28)/t15-,16+,17+/m0/s1 | | Definition date: | 2008-09-26 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) |
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 | | OA5 | | Name: | 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine | | Formula: | C11 H13 N5 O2 | | SMILES: | O(c1nc(nc(n1)N)N)CCOc2ccccc2 | | InChi: | InChI=1S/C11H13N5O2/c12-9-14-10(13)16-11(15-9)18-7-6-17-8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,12,13,14,15,16) | | Definition date: | 2008-12-18 | | Last modified: | 2011-06-04 | | Identifier: | 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine |
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 | | SRA | | Name: | ADENOSINE -5'-THIO-MONOPHOSPHATE | | Formula: | C10 H14 N5 O6 P S | | SMILES: | S=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H14N5O6PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(21-10)1-20-22(18,19)23/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,23)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-09-15 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-thiophosphonoadenosine |
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 | | MNG | | Name: | MENOGARIL | | Formula: | C28 H31 N O10 | | SMILES: | O=C4c3c(O)cc1c(OC2OC1(C(O)C(N(C)C)C2O)C)c3C(=O)c5cc6c(c(O)c45)C(OC)CC(O)(C)C6 | | InChi: | InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,4R,5R,6R,11R,13R)-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione |
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 | | BB3 | | Name: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE | | Formula: | C19 H17 Br2 N O5 S | | SMILES: | Brc1cc(cc(Br)c1O)C(=O)c2c3ccc(cc3oc2CC)S(=O)(=O)N(C)C | | InChi: | InChI=1S/C19H17Br2NO5S/c1-4-15-17(18(23)10-7-13(20)19(24)14(21)8-10)12-6-5-11(9-16(12)27-15)28(25,26)22(2)3/h5-9,24H,4H2,1-3H3 | | Definition date: | 2004-04-29 | | Last modified: | 2011-06-04 | | Identifier: | 3-[(3,5-dibromo-4-hydroxyphenyl)carbonyl]-2-ethyl-N,N-dimethyl-1-benzofuran-6-sulfonamide |
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 | | N2M | | Name: | 5-AMINO-NAPHTALENE-2-MONOSULFONATE | | Formula: | C10 H9 N O3 S | | SMILES: | O=S(=O)(O)c1ccc2c(c1)cccc2N | | InChi: | InChI=1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14) | | Definition date: | 2006-10-19 | | Last modified: | 2011-06-04 | | Identifier: | 5-aminonaphthalene-2-sulfonic acid |
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