| 80C | Name: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline | Formula: | C22 H20 Cl F N4 O | SMILES: | COc1ccc(c(Cl)c1)c2cc3c(cc2F)ncc4ncn(C5CCNCC5)c34 | InChi: | InChI=1S/C22H20ClFN4O/c1-29-14-2-3-15(18(23)8-14)16-9-17-20(10-19(16)24)26-11-21-22(17)28(12-27-21)13-4-6-25-7-5-13/h2-3,8-13,25H,4-7H2,1H3 | Definition date: | 2021-09-21 | Last modified: | 2022-08-22 | Release date: | 2022-03-16 | Identifier: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline |
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| 80H | Name: | ~{N}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide | Formula: | C19 H17 Cl F N7 O2 S | SMILES: | CN(c1ncccc1CNc2ccnc(n2)c3[nH]c4c(F)c(Cl)ccc4n3)[S](C)(=O)=O | InChi: | InChI=1S/C19H17ClFN7O2S/c1-28(31(2,29)30)19-11(4-3-8-23-19)10-24-14-7-9-22-17(26-14)18-25-13-6-5-12(20)15(21)16(13)27-18/h3-9H,10H2,1-2H3,(H,25,27)(H,22,24,26) | Definition date: | 2021-09-21 | Last modified: | 2022-08-22 | Release date: | 2021-12-15 | Identifier: | ~{N}-[3-[[[2-(6-chloranyl-7-fluoranyl-1~{H}-benzimidazol-2-yl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]-~{N}-methyl-methanesulfonamide |
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| 80Z | Name: | 1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide | Formula: | C29 H34 N4 O4 | SMILES: | CNC(=O)[CH](C1CCOCC1)N(C[CH](c2ccccc2)c3ccccn3)C(=O)C4=CN(C)C(=O)C(=C4)C | InChi: | InChI=1S/C29H34N4O4/c1-20-17-23(18-32(3)28(20)35)29(36)33(26(27(34)30-2)22-12-15-37-16-13-22)19-24(21-9-5-4-6-10-21)25-11-7-8-14-31-25/h4-11,14,17-18,22,24,26H,12-13,15-16,19H2,1-3H3,(H,30,34)/t24-,26-/m1/s1 | Definition date: | 2021-09-21 | Last modified: | 2022-08-22 | Release date: | 2021-10-13 | Identifier: | 1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide |
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| 81I | Name: | (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one | Formula: | C25 H24 F N3 O3 | SMILES: | Fc1ccc(cc1)c2ccc(cc2)N3C[CH](CC3=O)N4CCN(CC4)C(=O)c5occc5 | InChi: | InChI=1S/C25H24FN3O3/c26-20-7-3-18(4-8-20)19-5-9-21(10-6-19)29-17-22(16-24(29)30)27-11-13-28(14-12-27)25(31)23-2-1-15-32-23/h1-10,15,22H,11-14,16-17H2/t22-/m1/s1 | Definition date: | 2021-09-22 | Last modified: | 2022-08-22 | Release date: | 2022-02-16 | Identifier: | (4~{R})-1-[4-(4-fluorophenyl)phenyl]-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrrolidin-2-one |
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| 82W | Name: | [(1~{S},3~{R},4~{R},5~{R},6~{R},7~{S},8~{R},11~{S},13~{S},16~{S},17~{R},18~{E})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{R})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{H}-pyrrole-2-carboxylate | Formula: | C28 H37 N O8 | SMILES: | CO[CH]1C[CH]2C=C[CH]3[CH]4O[C]2([CH]3[CH](O)[CH](C)[CH]4OC(=O)c5[nH]ccc5)C(=C[CH](C)[CH](OC1=O)[CH](C)O)C | InChi: | InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11+/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1 | Definition date: | 2021-09-29 | Last modified: | 2022-08-22 | Release date: | 2022-02-23 | Identifier: | [(1~{S},3~{R},4~{R},5~{R},6~{R},7~{S},8~{R},11~{S},13~{S},16~{S},17~{R},18~{E})-13-methoxy-5,17,19-trimethyl-6-oxidanyl-16-[(1~{R})-1-oxidanylethyl]-14-oxidanylidene-2,15-dioxatetracyclo[9.8.0.0^{1,7}.0^{3,8}]nonadeca-9,18-dien-4-yl] 1~{H}-pyrrole-2-carboxylate |
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| 835 | Name: | (3S)-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione | Formula: | C14 H14 N4 O3 | SMILES: | CC1=Nc2cccc(N)c2C(=O)N1[CH]3CCC(=O)NC3=O | InChi: | InChI=1S/C14H14N4O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6,15H2,1H3,(H,17,19,20)/t10-/m0/s1 | Synonyms: | (3S)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione | Definition date: | 2021-09-29 | Last modified: | 2022-08-22 | Release date: | 2022-03-16 | Identifier: | (3~{S})-3-(5-azanyl-2-methyl-4-oxidanylidene-quinazolin-3-yl)piperidine-2,6-dione |
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| 84I | Name: | methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate | Formula: | C16 H16 Cl N O4 S2 | SMILES: | COC(=O)c1cc(c(SCCc2ccccc2)cc1Cl)[S](N)(=O)=O | InChi: | InChI=1S/C16H16ClNO4S2/c1-22-16(19)12-9-15(24(18,20)21)14(10-13(12)17)23-8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,18,20,21) | Definition date: | 2021-10-01 | Last modified: | 2022-08-22 | Release date: | 2022-01-12 | Identifier: | methyl 2-chloranyl-4-(2-phenylethylsulfanyl)-5-sulfamoyl-benzoate |
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| 84O | Name: | methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate | Formula: | C14 H18 Cl N O4 S2 | SMILES: | COC(=O)c1cc(c(Cl)cc1SC2CCCCC2)[S](N)(=O)=O | InChi: | InChI=1S/C14H18ClNO4S2/c1-20-14(17)10-7-13(22(16,18)19)11(15)8-12(10)21-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,16,18,19) | Definition date: | 2021-10-01 | Last modified: | 2022-08-22 | Release date: | 2022-01-12 | Identifier: | methyl 4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-benzoate |
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| 84Z | Name: | methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate | Formula: | C14 H12 Cl N O6 S2 | SMILES: | COC(=O)c1cc(c(Cl)cc1[S](=O)(=O)c2ccccc2)[S](N)(=O)=O | InChi: | InChI=1S/C14H12ClNO6S2/c1-22-14(17)10-7-13(24(16,20)21)11(15)8-12(10)23(18,19)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,20,21) | Definition date: | 2021-10-01 | Last modified: | 2022-08-22 | Release date: | 2022-01-12 | Identifier: | methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate |
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| 85H | Name: | 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole | Formula: | C31 H23 Cl6 N2 O | SMILES: | Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(C[CH](OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3 | InChi: | InChI=1S/C31H23Cl6N2O/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36/h1-16,19,30-31H,17-18H2/q+1/t30-/m0/s1 | Definition date: | 2021-10-01 | Last modified: | 2022-08-22 | Release date: | 2022-08-17 | Identifier: | 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-1-ium |
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| 85U | Name: | methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | Formula: | C30 H36 N10 O7 | SMILES: | COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC=C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1 | InChi: | InChI=1S/C30H36N10O7/c1-46-28(44)17-11-16-6-7-18(13-19(16)20(41)12-17)39-30(45)35-9-3-2-8-33-29(32)34-10-4-5-21-23(42)24(43)27(47-21)40-15-38-22-25(31)36-14-37-26(22)40/h4-7,11-15,21,23-24,27,41-43H,2-3,8-10H2,1H3,(H2,31,36,37)(H3,32,33,34)(H2,35,39,45)/b5-4+/t21-,23-,24-,27-/m1/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-08-22 | Release date: | 2022-04-06 | Identifier: | methyl 6-[4-[[~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate |
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| 867 | Name: | methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | Formula: | C30 H38 N10 O7 | SMILES: | COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1 | InChi: | InChI=1S/C30H38N10O7/c1-46-28(44)17-11-16-6-7-18(13-19(16)20(41)12-17)39-30(45)35-9-3-2-8-33-29(32)34-10-4-5-21-23(42)24(43)27(47-21)40-15-38-22-25(31)36-14-37-26(22)40/h6-7,11-15,21,23-24,27,41-43H,2-5,8-10H2,1H3,(H2,31,36,37)(H3,32,33,34)(H2,35,39,45)/t21-,23-,24-,27-/m1/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-08-22 | Release date: | 2022-04-06 | Identifier: | methyl 6-[4-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate |
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| 86E | Name: | 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide | Formula: | C16 H11 Cl2 F N4 O2 | SMILES: | Cn1cc(NC(=O)c2[nH]cc(c2)C(=O)c3c(Cl)ccc(Cl)c3F)cn1 | InChi: | InChI=1S/C16H11Cl2FN4O2/c1-23-7-9(6-21-23)22-16(25)12-4-8(5-20-12)15(24)13-10(17)2-3-11(18)14(13)19/h2-7,20H,1H3,(H,22,25) | Definition date: | 2021-10-04 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 4-[3,6-bis(chloranyl)-2-fluoranyl-phenyl]carbonyl-~{N}-(1-methylpyrazol-4-yl)-1~{H}-pyrrole-2-carboxamide |
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| 86H | Name: | 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide | Formula: | C23 H20 Cl2 N6 O3 S | SMILES: | Clc1cccc(c1Cl)[S](=O)(=O)Nc2ccc(cc2)c3cc(C(=O)N[CH]4CCNC4)c5c[nH]nc5n3 | InChi: | InChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1 | Definition date: | 2021-10-04 | Last modified: | 2022-08-22 | Release date: | 2021-12-01 | Identifier: | 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide |
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| 88I | Name: | (3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one | Formula: | C37 H68 O6 | SMILES: | CCCCCCCCCC[CH](O)[CH]1CC[CH](O1)[CH]2CC[CH](O2)[CH](O)CCCCCCCCCCCC[CH]3C[CH](C)OC3=O | InChi: | InChI=1S/C37H68O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h29-36,38-39H,3-28H2,1-2H3/t29-,30-,31+,32+,33+,34+,35+,36+/m0/s1 | Definition date: | 2021-10-07 | Last modified: | 2022-08-22 | Release date: | 2022-04-06 | Identifier: | (3~{S},5~{S})-5-methyl-3-[(13~{R})-13-oxidanyl-13-[(2~{R},5~{R})-5-[(2~{R},5~{R})-5-[(1~{R})-1-oxidanylundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]oxolan-2-one |
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| 89H | Name: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione | Formula: | C12 H10 N2 O3 | SMILES: | O=C1N=NC(=O)c2cc(OCC3CC3)ccc12 | InChi: | InChI=1S/C12H10N2O3/c15-11-9-4-3-8(17-6-7-1-2-7)5-10(9)12(16)14-13-11/h3-5,7H,1-2,6H2 | Definition date: | 2021-10-07 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 6-(cyclopropylmethoxy)phthalazine-1,4-dione |
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| 89Z | Name: | 6-(cyclopentylmethoxy)phthalazine-1,4-dione | Formula: | C14 H14 N2 O3 | SMILES: | O=C1N=NC(=O)c2cc(OCC3CCCC3)ccc12 | InChi: | InChI=1S/C14H14N2O3/c17-13-11-6-5-10(7-12(11)14(18)16-15-13)19-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2 | Definition date: | 2021-10-07 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 6-(cyclopentylmethoxy)phthalazine-1,4-dione |
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| 8A8 | Name: | 6-(cyclohexylmethoxy)phthalazine-1,4-dione | Formula: | C15 H16 N2 O3 | SMILES: | O=C1N=NC(=O)c2cc(OCC3CCCCC3)ccc12 | InChi: | InChI=1S/C15H16N2O3/c18-14-12-7-6-11(8-13(12)15(19)17-16-14)20-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2 | Definition date: | 2021-10-07 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 6-(cyclohexylmethoxy)phthalazine-1,4-dione |
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| 8B5 | Name: | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione | Formula: | C15 H9 Br N2 O3 | SMILES: | Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1 | InChi: | InChI=1S/C15H9BrN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2 | Definition date: | 2021-10-07 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione |
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| 8BW | Name: | 6-(cyclobutylmethoxy)phthalazine-1,4-dione | Formula: | C13 H12 N2 O3 | SMILES: | O=C1N=NC(=O)c2cc(OCC3CCC3)ccc12 | InChi: | InChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2 | Definition date: | 2021-10-07 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 6-(cyclobutylmethoxy)phthalazine-1,4-dione |
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| 8D2 | Name: | 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione | Formula: | C15 H9 F N2 O3 | SMILES: | Fc1ccccc1COc2ccc3C(=O)N=NC(=O)c3c2 | InChi: | InChI=1S/C15H9FN2O3/c16-13-4-2-1-3-9(13)8-21-10-5-6-11-12(7-10)15(20)18-17-14(11)19/h1-7H,8H2 | Definition date: | 2021-10-08 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione |
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| 8DB | Name: | 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione | Formula: | C13 H8 N2 O3 S | SMILES: | O=C1N=NC(=O)c2cc(OCc3sccc3)ccc12 | InChi: | InChI=1S/C13H8N2O3S/c16-12-10-4-3-8(6-11(10)13(17)15-14-12)18-7-9-2-1-5-19-9/h1-6H,7H2 | Definition date: | 2021-10-08 | Last modified: | 2022-08-22 | Release date: | 2022-05-11 | Identifier: | 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione |
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| 8DS | Name: | 4-chloranyl-N-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide | Formula: | C16 H12 Cl2 N2 O S | SMILES: | Clc1ccc(CCNC(=O)c2sc3cncc(Cl)c3c2)cc1 | InChi: | InChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)5-6-20-16(21)14-7-12-13(18)8-19-9-15(12)22-14/h1-4,7-9H,5-6H2,(H,20,21) | Definition date: | 2021-10-08 | Last modified: | 2022-08-22 | Release date: | 2021-10-20 | Identifier: | 4-chloranyl-~{N}-[2-(4-chlorophenyl)ethyl]thieno[2,3-c]pyridine-2-carboxamide |
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| 8E2 | Name: | Preladenant conjugate PSB-2113 | Formula: | C38 H52 N10 O9 | SMILES: | CC(C)(C)OC(=O)COCCOCCOCCOCCNC(=O)COc1ccc(cc1)N2CCN(CC2)CCn3ncc4c3nc(N)n5nc(nc45)c6occc6 | InChi: | InChI=1S/C38H52N10O9/c1-38(2,3)57-33(50)27-54-24-23-53-22-21-52-20-19-51-18-10-40-32(49)26-56-29-8-6-28(7-9-29)46-14-11-45(12-15-46)13-16-47-35-30(25-41-47)36-42-34(31-5-4-17-55-31)44-48(36)37(39)43-35/h4-9,17,25H,10-16,18-24,26-27H2,1-3H3,(H2,39,43)(H,40,49) | Synonyms: | ~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate | Definition date: | 2021-10-09 | Last modified: | 2022-08-22 | Release date: | 2022-03-02 | Identifier: | ~{tert}-butyl 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanoate |
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| 8EK | Name: | 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid | Formula: | C18 H13 N3 O3 S2 | SMILES: | OC(=O)Cc1cccc(CSC2=NC(=C(C#N)C(=O)N2)c3sccc3)c1 | InChi: | InChI=1S/C18H13N3O3S2/c19-9-13-16(14-5-2-6-25-14)20-18(21-17(13)24)26-10-12-4-1-3-11(7-12)8-15(22)23/h1-7H,8,10H2,(H,22,23)(H,20,21,24) | Definition date: | 2021-10-09 | Last modified: | 2022-08-22 | Release date: | 2022-04-20 | Identifier: | 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1~{H}-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid |
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