 | | DDN | | Name: | 3,4-DIHYDRO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H15 N2 O8 P | | SMILES: | O=C1NC(O)C=CN1C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C9H15N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-8,12-13H,3-4H2,(H,10,14)(H2,15,16,17)/t5-,6+,7+,8+/m0/s1 | | Synonyms: | ((2R,3S,5R)-3-HYDROXY-5-(4-HYDROXY-2-OXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE | | Definition date: | 2004-12-14 | | Last modified: | 2021-03-13 | | Identifier: | (4R)-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one |
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 | | DH2 | | Name: | (2S,3S)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE | | Formula: | C15 H12 O7 | | SMILES: | O=C2c3c(OC(c1ccc(O)c(O)c1)C2O)cc(O)cc3O | | InChi: | InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m1/s1 | | Synonyms: | (2S,3S)-TRANS-DIHYDROQUERCETIN | | Definition date: | 2001-10-30 | | Last modified: | 2021-03-13 | | Identifier: | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one |
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 | | QQX | | Name: | [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-oxidanyl-2-sulfanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol | | Formula: | C10 H12 N5 O5 P S | | SMILES: | S=P1(OC2C(OC(C2O1)CO)n3c4ncnc(N)c4nc3)O | | InChi: | InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)18-10)19-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21+/m1/s1 | | Synonyms: | ADENOSINE-2',3'-CYCLOPHOSPHOROTHIOATE | | Definition date: | 2012-10-30 | | Last modified: | 2021-03-13 | | Release date: | 2013-07-10 | | Identifier: | (2S,3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-(hydroxymethyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-sulfide |
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 | | QYT | | Name: | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE-2,4-DIONE | | Formula: | C12 H7 N3 O2 S | | SMILES: | O=C1C(SC(=O)N1)=Cc3cc2nccnc2cc3 | | InChi: | InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17)/b10-6- | | Synonyms: | 5-QUINOXALIN-6-YLMETHYLENE-THIAZOLIDINE-2,4-DIONE | | Definition date: | 2005-07-05 | | Last modified: | 2021-03-13 | | Identifier: | (5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione |
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 | | R0E | | Name: | ProM-17 | | Formula: | C14 H22 N2 O3 | | SMILES: | CC(C)C[CH]1C=C[CH]2CCN[CH]2C(=O)N1CC(O)=O | | InChi: | InChI=1S/C14H22N2O3/c1-9(2)7-11-4-3-10-5-6-15-13(10)14(19)16(11)8-12(17)18/h3-4,9-11,13,15H,5-8H2,1-2H3,(H,17,18)/t10-,11-,13-/m0/s1 | | Synonyms: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid | | Definition date: | 2020-08-25 | | Last modified: | 2021-03-13 | | Release date: | 2020-10-07 | | Identifier: | 2-[(3~{a}~{R},6~{R},8~{a}~{S})-6-(2-methylpropyl)-8-oxidanylidene-1,2,3,3~{a},6,8~{a}-hexahydropyrrolo[2,3-c]azepin-7-yl]ethanoic acid |
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 | | R0Z | | Name: | elacridar | | Formula: | C34 H33 N3 O5 | | SMILES: | COc1cccc2C(=O)c3cccc(C(=O)Nc4ccc(CCN5CCc6cc(OC)c(OC)cc6C5)cc4)c3Nc12 | | InChi: | InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38) | | Synonyms: | ~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide | | Definition date: | 2020-08-25 | | Last modified: | 2021-03-13 | | Release date: | 2020-10-14 | | Identifier: | ~{N}-[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxidanylidene-10~{H}-acridine-4-carboxamide |
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 | | R1C | | Name: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) | | Formula: | C38 H26 N6 Rh | | SMILES: | N1=C8C(=N[Rh]173([n+]4c(c2cccc[n+]23)cccc4)[n+]5ccccc5c6cccc[n+]67)c%10c%11c(ccc%10c9ccccc89)cccc%11 | | InChi: | InChI=1S/C18H10N2.2C10H8N2.Rh/c19-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)18(17)20 | | Synonyms: | DELTA-Rhodium(III)- bis-(2,2'-bipyridyl)-5,6-chrysenequinone diimine | | Definition date: | 2007-07-10 | | Last modified: | 2021-03-13 | | Identifier: | bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+) |
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 | | R1H | | Name: | tariquidar | | Formula: | C38 H38 N4 O6 | | SMILES: | COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c5cnc6ccccc6c5)cc3)Cc2cc1OC | | InChi: | InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43) | | Synonyms: | ~{N}-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxy-phenyl]quinoline-3-carboxamide | | Definition date: | 2020-08-25 | | Last modified: | 2021-03-13 | | Release date: | 2020-10-14 | | Identifier: | ~{N}-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxy-phenyl]quinoline-3-carboxamide |
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 | | R3N | | Name: | (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid | | Formula: | C12 H17 N O6 S | | SMILES: | C[CH](O)[CH]([CH]1S[CH]([CH]2CCCO2)C(=N1)C(O)=O)C(O)=O | | InChi: | InChI=1S/C12H17NO6S/c1-5(14)7(11(15)16)10-13-8(12(17)18)9(20-10)6-3-2-4-19-6/h5-7,9-10,14H,2-4H2,1H3,(H,15,16)(H,17,18)/t5-,6-,7-,9-,10-/m1/s1 | | Synonyms: | (2~{R},5~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-[(2~{R})-oxolan-2-yl]-1,3-thiazolidine-4-carboxylic acid | | Definition date: | 2020-08-28 | | Last modified: | 2021-03-13 | | Release date: | 2021-02-24 | | Identifier: | (2~{R},5~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-[(2~{R})-oxolan-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid |
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 | | IMY | | Name: | 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE | | Formula: | C30 H32 Cl2 N4 O3 | | SMILES: | O=C(N2C(=NC(c1ccc(Cl)cc1)C2c3ccc(Cl)cc3)c4ccc(OC)cc4OC(C)C)N5CCNCC5 | | InChi: | InChI=1S/C30H32Cl2N4O3/c1-19(2)39-26-18-24(38-3)12-13-25(26)29-34-27(20-4-8-22(31)9-5-20)28(21-6-10-23(32)11-7-21)36(29)30(37)35-16-14-33-15-17-35/h4-13,18-19,27-28,33H,14-17H2,1-3H3/t27-,28+/m0/s1 | | Synonyms: | CIS-[4,5-BIS-(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYD ROIMIDAZOL-1-YL]-PIPERAZIN-1-YL-METHANONE | | Definition date: | 2004-06-28 | | Last modified: | 2021-03-13 | | Identifier: | 1-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methylethoxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazine |
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 | | ION | | Name: | ARISTOLOCHENE | | Formula: | C15 H24 | | SMILES: | C2=C1CCCC(C)C1(CC(C(=C)C)C2)C | | InChi: | InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1 | | Synonyms: | 6-ISOPROPENYL-4,4A-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE | | Definition date: | 2000-06-01 | | Last modified: | 2021-03-13 | | Identifier: | (4S,4aR,6S)-4,4a-dimethyl-6-(1-methylethenyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene |
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 | | IP5 | | Name: | (1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)] | | 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 | | Synonyms: | D-MYO-INS(1,2,3,4,5)P5 | | Definition date: | 2006-08-25 | | Last modified: | 2021-03-13 | | Identifier: | (1R,2S,3R,4S,5S,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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 | | IQO | | Name: | 1-(1-(4-(7-phenyl-1H-imidazo[4,5-g]quinoxalin-6-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one | | Formula: | C34 H29 N7 O | | SMILES: | O=C2Nc1ccccc1N2C8CCN(Cc7ccc(c4nc6c(nc4c3ccccc3)cc5ncnc5c6)cc7)CC8 | | InChi: | InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42) | | Synonyms: | 1-{1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one | | Definition date: | 2010-08-05 | | Last modified: | 2021-03-13 | | Identifier: | 1-{1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one |
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 | | IQX | | Name: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide | | Formula: | C16 H16 F N5 O3 S3 | | SMILES: | O=S(=O)(c1sc(nc1C)C)Nc3cc(c2sc(nc2C)NC(=O)C)cnc3F | | InChi: | InChI=1S/C16H16FN5O3S3/c1-7-13(27-16(20-7)21-9(3)23)11-5-12(14(17)18-6-11)22-28(24,25)15-8(2)19-10(4)26-15/h5-6,22H,1-4H3,(H,20,21,23) | | Synonyms: | N-[5-[5-[(2,4-dimethylthiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridyl]-4-methyl-thiazol-2-yl]acetamide | | Definition date: | 2010-04-13 | | Last modified: | 2021-03-13 | | Identifier: | N-[5-(5-{[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino}-6-fluoropyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]acetamide |
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 | | IRF | | Name: | 1-DEOXY-1-(8-IODO-7-METHYL-2,4-DIOXO-3,4-DIHYDROBENZO[G]PTERIDIN-10(2H)-YL)-D-RIBITOL | | Formula: | C16 H17 I N4 O6 | | SMILES: | Ic2cc1N(C3=NC(=O)NC(=O)C3=Nc1cc2C)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C16H17IN4O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1 | | Synonyms: | 8-IODO-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL) | | Definition date: | 2006-08-01 | | Last modified: | 2021-03-13 | | Identifier: | 1-deoxy-1-(8-iodo-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol |
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 | | IS1 | | Name: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium | | Formula: | C29 H38 N3 O6 | | SMILES: | O=C(c1ccccc1)N2CCC(CC2)CCCCNC(=O)C=Cc3ccc[n+](c3)C4OC(C(O)C4O)CO | | InChi: | InChI=1S/C29H37N3O6/c33-20-24-26(35)27(36)29(38-24)32-16-6-8-22(19-32)11-12-25(34)30-15-5-4-7-21-13-17-31(18-14-21)28(37)23-9-2-1-3-10-23/h1-3,6,8-12,16,19,21,24,26-27,29,33,35-36H,4-5,7,13-15,17-18,20H2/p+1/b12-11+/t24-,26-,27-,29-/m1/s1 | | Synonyms: | 3-((E)-3-(4-(1-benzoylpiperidin-4-yl)butylamino)-3-oxoprop-1-enyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium | | Definition date: | 2009-02-22 | | Last modified: | 2021-03-13 | | Identifier: | 3-[(1E)-3-oxo-3-({4-[1-(phenylcarbonyl)piperidin-4-yl]butyl}amino)prop-1-en-1-yl]-1-beta-D-ribofuranosylpyridinium |
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 | | ITA | | Name: | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3-DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL-2(1H)-YL}ACETIC ACID | | Formula: | C16 H11 N O9 S | | SMILES: | O=C(O)COC(=O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O | | InChi: | InChI=1S/C16H11NO9S/c18-11(19)6-17-15(22)13-9-4-2-1-3-8(9)5-10(14(13)27(17,24)25)16(23)26-7-12(20)21/h1-5H,6-7H2,(H,18,19)(H,20,21) | | Synonyms: | 2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[ 1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID CARBOXYMETHYL ESTER | | Definition date: | 2006-11-15 | | Last modified: | 2021-03-13 | | Identifier: | {4-[(carboxymethoxy)carbonyl]-3,3-dioxido-1-oxonaphtho[1,2-d]isothiazol-2(1H)-yl}acetic acid |
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 | | ITC | | Name: | ISO-7-CHLORTETRACYCLINE | | Formula: | C22 H23 Cl N2 O8 | | SMILES: | O=C3CC(C2(OC(=O)c1c(O)ccc(Cl)c12)C)CC4C3(O)C(=O)C(C(=O)N)=C(O)C4N(C)C | | InChi: | InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21-,22-/m0/s1 | | Synonyms: | (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBOXAMIDE | | Definition date: | 2010-03-15 | | Last modified: | 2021-03-13 | | Identifier: | (4S,4aS,6S,8aS)-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-4-(dimethylamino)-3,8a-dihydroxy-1,8-dioxo-1,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carboxamide |
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 | | ITY | | Name: | icosa-5,8,11,14-tetraynoic acid | | Formula: | C20 H24 O2 | | SMILES: | CCCCCC#CCC#CCC#CCC#CCCCC(O)=O | | InChi: | InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22) | | Synonyms: | 5,8,11,14-eicosatetraynoic acid | | Definition date: | 2018-07-10 | | Last modified: | 2021-03-13 | | Release date: | 2020-11-11 | | Identifier: | icosa-5,8,11,14-tetraynoic acid |
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 | | IVC | | Name: | Isovaleryl-coenzyme A | | Formula: | C26 H44 N7 O17 P3 S | | SMILES: | OP(OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(OP(=O)(O)OCC(C)(C(O)C(=O)NCCC(NCCSC(CC(C)C)=O)=O)C)(O)=O)(O)=O | | InChi: | InChI=1S/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-15,19-21,25,36-37H,5-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1 | | Synonyms: | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbutanethioate | | Definition date: | 2015-07-16 | | Last modified: | 2021-03-13 | | Release date: | 2015-09-09 | | Identifier: | S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-methylbutanethioate (non-preferred name) |
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 | | IWR | | Name: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide | | Formula: | C25 H19 N3 O3 | | SMILES: | O=C(Nc2c1ncccc1ccc2)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O | | InChi: | InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+ | | Synonyms: | 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0{2,6}]dec-8-en-4-yl]-N-(quinolin-8-yl)benzamide | | Definition date: | 2011-11-03 | | Last modified: | 2021-03-13 | | Identifier: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide |
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 | | IXN | | Name: | 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine | | Formula: | C31 H43 N9 O8 S | | SMILES: | O=C(c1ccccc1O)NS(=O)(=O)OCC5OC(n3cnc2c(nc(nc23)n4nnc(c4)CCCCCCCCCCCC)N)C(O)C5O | | InChi: | InChI=1S/C31H43N9O8S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-40(38-36-20)31-34-27(32)24-28(35-31)39(19-33-24)30-26(43)25(42)23(48-30)18-47-49(45,46)37-29(44)21-15-12-13-16-22(21)41/h12-13,15-17,19,23,25-26,30,41-43H,2-11,14,18H2,1H3,(H,37,44)(H2,32,34,35)/t23-,25-,26-,30-/m1/s1 | | Synonyms: | 2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine | | Definition date: | 2010-08-03 | | Last modified: | 2021-03-13 | | Identifier: | 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine |
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 | | R5A | | Name: | RUTHENIUM WIRE, 5 CARBON LINKER | | Formula: | C45 H61 N7 O Ru | | SMILES: | O(c1cccc(N(C)C)c1)CCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10 | | InChi: | InChI=1S/C25H27N3O.C10H18N2.C10H16N2.Ru/c1-28(2)21-10-6-11-22(18-21)29-17-5-3-4-8-19-14-16-27-25-23(19)13-12-20-9-7-15-26-24(20)25 | | Synonyms: | BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[5-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)PENTYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM | | Definition date: | 2006-02-21 | | Last modified: | 2021-03-13 | | Identifier: | [(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[5-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)pentyl]oxy}-N,N-dimethylanilinato(2-)][(6S)-6-[(2R)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium |
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 | | R5W | | Name: | 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide | | Formula: | C15 H18 N6 O | | SMILES: | Cc1nnc2n1cccc2NC(=O)CCC3(CCC#C)NN3 | | InChi: | InChI=1S/C15H18N6O/c1-3-4-8-15(19-20-15)9-7-13(22)16-12-6-5-10-21-11(2)17-18-14(12)21/h1,5-6,10,19-20H,4,7-9H2,2H3,(H,16,22) | | Synonyms: | 3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide | | Definition date: | 2020-09-02 | | Last modified: | 2021-03-13 | | Release date: | 2020-10-21 | | Identifier: | 3-(3-but-3-ynyl-1,2-diaziridin-3-yl)-~{N}-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide |
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 | | RBP | | Name: | (3R,4R)-4-(4-BROMOPHENYL)-3-(2-NAPHTHYLMETHOXY)PIPERIDINE | | Formula: | C22 H22 Br N O | | SMILES: | Brc1ccc(cc1)C4CCNCC4OCc3cc2ccccc2cc3 | | InChi: | InChI=1S/C22H22BrNO/c23-20-9-7-18(8-10-20)21-11-12-24-14-22(21)25-15-16-5-6-17-3-1-2-4-19(17)13-16/h1-10,13,21-22,24H,11-12,14-15H2/t21-,22+/m1/s1 | | Synonyms: | TRANS-(3R,4R)-2-NAPHTYL-METHOXY-4-(4-BROMOPHENYL)-PIPERIDINE | | Definition date: | 2003-06-25 | | Last modified: | 2021-03-13 | | Identifier: | (3R,4R)-4-(4-bromophenyl)-3-(naphthalen-2-ylmethoxy)piperidine |
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