 | | TP5 | | Name: | THIOPHENE-3-CARBOXIMIDAMIDE | | Formula: | C5 H6 N2 S | | SMILES: | [N@H]=C(N)c1ccsc1 | | InChi: | InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7) | | Definition date: | 2005-09-13 | | Last modified: | 2011-06-04 | | Identifier: | thiophene-3-carboximidamide |
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 | | YLL | | Name: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL | | Formula: | C7 H14 O6 | | SMILES: | OC1C(C(O)C(O)C(O)C1O)CO | | InChi: | InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7-/m1/s1 | | Definition date: | 2006-11-29 | | Last modified: | 2011-06-04 | | Identifier: | (1R,2S,3S,4S,5R,6R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol |
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 | | XMG | | Name: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID | | Formula: | C26 H29 Cl N4 O4 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)O)N(CC4CCN(c3ccncc3)CC4)CC5 | | InChi: | InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(18-31)26(32)33)17-19-7-11-29(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,17-18H2,(H,32,33)/t25-/m0/s1 | | Definition date: | 2001-07-25 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid |
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 | | TP6 | | Name: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE | | Formula: | C15 H25 N4 O11 P | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C15H25N4O11P/c20-7-9(22)11(23)8(21)6-19-12-10(13(24)17-14(25)16-12)18(15(19)26)4-2-1-3-5-30-31(27,28)29/h8-9,11,20-23H,1-7H2,(H2,27,28,29)(H2,16,17,24,25)/t8-,9-,11+/m1/s1 | | Definition date: | 2005-12-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-{2,6,8-trioxo-7-[5-(phosphonooxy)pentyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol |
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 | | TAL | | Name: | 9-(6-DEOXY-ALPHA-L-TALOFURANOSYL)-6-METHYLPURINE | | Formula: | C12 H16 N4 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)C(O)C)C | | InChi: | InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8-,9+,10+,12+/m0/s1 | | Definition date: | 2003-04-03 | | Last modified: | 2011-06-04 | | Identifier: | 9-(6-deoxy-alpha-L-talofuranosyl)-6-methyl-9H-purine |
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 | | 5SE | | Name: | 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate) | | Formula: | C10 H16 N3 O7 P Se | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C([Se]C)=C1)CC2O | | InChi: | InChI=1S/C10H16N3O7PSe/c1-22-7-3-13(10(15)12-9(7)11)8-2-5(14)6(20-8)4-19-21(16,17)18/h3,5-6,8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t5-,6+,8+/m0/s1 | | Definition date: | 2009-08-07 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate) |
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 | | U3P | | Name: | 3'-URIDINEMONOPHOSPHATE | | Formula: | C9 H13 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2O)CO | | InChi: | InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3'-uridylic acid |
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 | | XMI | | Name: | 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | | Formula: | C25 H27 Cl N4 O3 S | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N3CC(=O)N(CC3)CC5CCN(c4ccncc4)CC5 | | InChi: | InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-16-24(4-2-20(21)15-22)34(32,33)30-14-13-29(25(31)18-30)17-19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,15-16,19H,7-8,11-14,17-18H2 | | Definition date: | 2001-07-25 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one |
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 | | KAR | | Name: | 3"-(BETA-CHLOROETHYL)-2",4"-DIOXO-3, 5"-SPIRO-OXAZOLIDINO-4-DEACETOXY-VINBLASTINE | | Formula: | C46 H56 Cl N5 O7 | | SMILES: | O=C(OC)C4(c2c(c1ccccc1n2)CCN3CC(O)(CC)CC(C3)C4)c%10cc6c(N(C7C5(OC(=O)N(C5=O)CCCl)CC9(C=CCN8CCC67C89)CC)C)cc%10OC | | InChi: | InChI=1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1 | | Definition date: | 2004-09-01 | | Last modified: | 2011-06-04 | | Identifier: | methyl (5S,7R,9S)-9-[(3aR,5R,5aR,10bR,13aS)-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1H,4H-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate |
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 | | XMJ | | Name: | 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE | | Formula: | C23 H27 Cl N4 O3 S | | SMILES: | Clc1ccc(cc1)C=CS(=O)(=O)N2CC(=O)N(CC2)CC4CCN(c3ccncc3)CC4 | | InChi: | InChI=1S/C23H27ClN4O3S/c24-21-3-1-19(2-4-21)9-16-32(30,31)28-15-14-27(23(29)18-28)17-20-7-12-26(13-8-20)22-5-10-25-11-6-22/h1-6,9-11,16,20H,7-8,12-15,17-18H2/b16-9+ | | Definition date: | 2001-07-27 | | Last modified: | 2011-06-04 | | Identifier: | 4-{[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl}-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one |
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 | | PMS | | Name: | phenylmethanesulfonic acid | | Formula: | C7 H8 O3 S | | SMILES: | O=S(=O)(O)Cc1ccccc1 | | InChi: | InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10) | | Definition date: | 2009-08-24 | | Last modified: | 2011-06-04 | | Identifier: | phenylmethanesulfonic acid |
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 | | XMK | | Name: | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | | Formula: | C23 H29 Cl N4 O2 S | | SMILES: | Clc1ccc(cc1)C=CS(=O)(=O)N4CCN(CC3CCN(c2ccncc2)CC3)CC4 | | InChi: | InChI=1S/C23H29ClN4O2S/c24-22-3-1-20(2-4-22)9-18-31(29,30)28-16-14-26(15-17-28)19-21-7-12-27(13-8-21)23-5-10-25-11-6-23/h1-6,9-11,18,21H,7-8,12-17,19H2/b18-9+ | | Definition date: | 2001-07-27 | | Last modified: | 2011-06-04 | | Identifier: | 1-{[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl}-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine |
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 | | U3S | | Name: | 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione | | Formula: | C14 H21 N3 O5 | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CN3CCCCC3 | | InChi: | InChI=1S/C14H21N3O5/c18-10-4-7-17(14(21)15-10)13-12(20)11(19)9(22-13)8-16-5-2-1-3-6-16/h4,7,9,11-13,19-20H,1-3,5-6,8H2,(H,15,18,21)/t9-,11-,12+,13+/m0/s1 | | Definition date: | 2008-06-10 | | Last modified: | 2011-06-04 | | Identifier: | 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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 | | TPA | | Name: | TRANS-2-PHENYLCYCLOPROPYLAMINE | | Formula: | C9 H12 N | | SMILES: | c1cccc(c1)C2CC2[NH3+] | | InChi: | InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/p+1/t8-,9+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2R)-2-phenylcyclopropanaminium |
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 | | 06H | | Name: | (6S)-4,6,15,15,18-pentamethyl-5,17-dioxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-12,8-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide | | Formula: | C25 H32 N4 O3 | | SMILES: | C[CH]1Nc2cc(ccc2C(N)=O)n3c(CCCN(C)C1=O)c(C)c4C(=O)CC(C)(C)Cc34 | | InChi: | InChI=1S/C25H32N4O3/c1-14-19-7-6-10-28(5)24(32)15(2)27-18-11-16(8-9-17(18)23(26)31)29(19)20-12-25(3,4)13-21(30)22(14)20/h8-9,11,15,27H,6-7,10,12-13H2,1-5H3,(H2,26,31)/t15-/m0/s1 | | Definition date: | 2011-04-01 | | Last modified: | 2011-06-04 |
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 | | P83 | | Name: | 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine | | Formula: | C16 H18 N2 | | SMILES: | c1cccc3c1c2c(ccc(c2)CNC)n3CC | | InChi: | InChI=1S/C16H18N2/c1-3-18-15-7-5-4-6-13(15)14-10-12(11-17-2)8-9-16(14)18/h4-10,17H,3,11H2,1-2H3 | | Definition date: | 2008-05-26 | | Last modified: | 2011-06-04 | | Identifier: | 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine |
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 | | Z48 | | Name: | N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide | | Formula: | C24 H23 N5 O2 | | SMILES: | O=C(c3cc(c1nc(ncc1C)Nc2ccccc2)cn3)NC(c4ccccc4)CO | | InChi: | InChI=1S/C24H23N5O2/c1-16-13-26-24(27-19-10-6-3-7-11-19)29-22(16)18-12-20(25-14-18)23(31)28-21(15-30)17-8-4-2-5-9-17/h2-14,21,25,30H,15H2,1H3,(H,28,31)(H,26,27,29)/t21-/m1/s1 | | Definition date: | 2009-07-02 | | Last modified: | 2011-06-04 | | Identifier: | N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide |
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 | | TAQ | | Name: | 2,4,6-TRIAMINOQUINAZOLINE | | Formula: | C8 H9 N5 | | SMILES: | n2c1c(cc(cc1)N)c(nc2N)N | | InChi: | InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13) | | Definition date: | 2004-06-02 | | Last modified: | 2011-06-04 | | Identifier: | quinazoline-2,4,6-triamine |
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 | | NK | | Name: | SALICYLALDEHYDE | | Formula: | C7 H6 O2 | | SMILES: | O=Cc1ccccc1O | | InChi: | InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H | | Definition date: | 2005-11-14 | | Last modified: | 2011-06-04 | | Identifier: | 2-hydroxybenzaldehyde |
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 | | TPC | | Name: | 5'-THIO-2'-DEOXY-CYTOSINE PHOSPHONIC ACID | | Formula: | C9 H14 N3 O6 P S | | SMILES: | O=P(O)(O)SCC2OC(N1C(=O)N=C(N)C=C1)CC2O | | InChi: | InChI=1S/C9H14N3O6PS/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(18-8)4-20-19(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Definition date: | 2004-10-06 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-S-phosphono-5'-thiocytidine |
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 | | TAR | | Name: | D(-)-TARTARIC ACID | | Formula: | C4 H6 O6 | | SMILES: | O=C(O)C(O)C(O)C(=O)O | | InChi: | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S)-2,3-dihydroxybutanedioic acid |
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 | | 06J | | Name: | (3aR)-13,13,16-trimethyl-15-oxo-1,2,3,3a,4,5,12,14,15,17,18,19-dodecahydro-13H-10,6-(metheno)pyrrolo[2',1':3,4][1,4,9]triazacyclotetradecino[9,8-a]indole-7-carboxamide | | Formula: | C26 H34 N4 O2 | | SMILES: | Cc1c2CCCN3CCC[CH]3CNc4cc(ccc4C(N)=O)n2c5CC(C)(C)CC(=O)c15 | | InChi: | InChI=1S/C26H34N4O2/c1-16-21-7-5-11-29-10-4-6-18(29)15-28-20-12-17(8-9-19(20)25(27)32)30(21)22-13-26(2,3)14-23(31)24(16)22/h8-9,12,18,28H,4-7,10-11,13-15H2,1-3H3,(H2,27,32)/t18-/m1/s1 | | Definition date: | 2011-04-01 | | Last modified: | 2011-06-04 |
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 | | KAW | | Name: | N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan | | Formula: | C30 H31 N3 O6 | | SMILES: | O=C(c1ccccc1)NC(Cc2ccccc2)C(O)(O)CCC(=O)NC(C(=O)O)Cc4c3ccccc3nc4 | | InChi: | InChI=1S/C30H31N3O6/c34-27(32-25(29(36)37)18-22-19-31-24-14-8-7-13-23(22)24)15-16-30(38,39)26(17-20-9-3-1-4-10-20)33-28(35)21-11-5-2-6-12-21/h1-14,19,25-26,31,38-39H,15-18H2,(H,32,34)(H,33,35)(H,36,37)/t25-,26-/m0/s1 | | Definition date: | 2007-12-12 | | Last modified: | 2011-06-04 | | Identifier: | N-{(5S)-4,4-dihydroxy-6-phenyl-5-[(phenylcarbonyl)amino]hexanoyl}-L-tryptophan |
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 | | TPD | | Name: | N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE | | Formula: | C9 H10 N2 O4 S4 | | SMILES: | O=S(=O)(c1sc(cc1)S(=O)(=O)NCc2sccc2)N | | InChi: | InChI=1S/C9H10N2O4S4/c10-18(12,13)8-3-4-9(17-8)19(14,15)11-6-7-2-1-5-16-7/h1-5,11H,6H2,(H2,10,12,13) | | Definition date: | 2001-03-28 | | Last modified: | 2011-06-04 | | Identifier: | N-(thiophen-2-ylmethyl)thiophene-2,5-disulfonamide |
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 | | UIZ | | Name: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE | | Formula: | C31 H32 N4 O3 | | SMILES: | O=C2N(C(Cc1ccccc1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC45)Cc6ccc7OCOc7c6 | | InChi: | InChI=1S/C31H32N4O3/c32-30(33)22-11-9-21(10-12-22)29-28-27(23-7-4-14-34(23)29)24(15-19-5-2-1-3-6-19)35(31(28)36)17-20-8-13-25-26(16-20)38-18-37-25/h1-3,5-6,8-13,16,23-24,27-29H,4,7,14-15,17-18H2,(H3,32,33)/t23-,24?,27+,28-,29-/m0/s1 | | Definition date: | 2005-02-03 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(1S,3aS,4R,8aS,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide |
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