 | | VBB | | Name: | 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate | | Formula: | C20 H23 Cl N6 O2 | | SMILES: | CN(C)CCOC(=O)c1n(C)nc(c1Cc2ccccc2)c3cc(Cl)nc(N)n3 | | InChi: | InChI=1S/C20H23ClN6O2/c1-26(2)9-10-29-19(28)18-14(11-13-7-5-4-6-8-13)17(25-27(18)3)15-12-16(21)24-20(22)23-15/h4-8,12H,9-11H2,1-3H3,(H2,22,23,24) | | Definition date: | 2023-03-01 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate |
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 | | VE1 | | Name: | 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine | | Formula: | C15 H13 Cl F N5 | | SMILES: | Cn1cc(Cc2cccc(F)c2)c(n1)c3cc(Cl)nc(N)n3 | | InChi: | InChI=1S/C15H13ClFN5/c1-22-8-10(5-9-3-2-4-11(17)6-9)14(21-22)12-7-13(16)20-15(18)19-12/h2-4,6-8H,5H2,1H3,(H2,18,19,20) | | Definition date: | 2023-03-03 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine |
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 | | UYO | | Name: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-nitro-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | | Formula: | C27 H43 N O4 | | SMILES: | C[CH](CCCC(C)(C)[N](=O)=O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | | InChi: | InChI=1S/C27H43NO4/c1-18(8-6-14-26(3,4)28(31)32)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | | Synonyms: | 25-nitro derivative of 1,25D3 | | Definition date: | 2023-02-15 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-methyl-6-nitro-heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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 | | UYU | | Name: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-azanyl-6-methyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | | Formula: | C27 H45 N O2 | | SMILES: | C[CH](CCCC(C)(C)N)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | | InChi: | InChI=1S/C27H45NO2/c1-18(8-6-14-26(3,4)28)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(29)17-25(30)19(21)2/h10-11,18,22-25,29-30H,2,6-9,12-17,28H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1 | | Definition date: | 2023-02-15 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-6-azanyl-6-methyl-heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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 | | ZD3 | | Name: | {(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol | | Formula: | C16 H18 F3 N3 O | | SMILES: | FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(NCC1)CO | | InChi: | InChI=1S/C16H18F3N3O/c1-10-2-3-13-12(6-10)14(7-15(21-13)16(17,18)19)22-5-4-20-11(8-22)9-23/h2-3,6-7,11,20,23H,4-5,8-9H2,1H3/t11-/m0/s1 | | Definition date: | 2023-03-08 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | {(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol |
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 | | ZD5 | | Name: | {(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol | | Formula: | C16 H18 F3 N3 O | | SMILES: | FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(NCC1)CO | | InChi: | InChI=1S/C16H18F3N3O/c1-10-2-3-13-12(6-10)14(7-15(21-13)16(17,18)19)22-5-4-20-11(8-22)9-23/h2-3,6-7,11,20,23H,4-5,8-9H2,1H3/t11-/m1/s1 | | Definition date: | 2023-03-08 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | {(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol |
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 | | Y9X | | Name: | N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea | | Formula: | C27 H30 N6 O2 | | SMILES: | Cc1ccc(cc1)NC(=O)Nc1cc(cc(CCC)c1OCCC)c1ccccc1c1nnn[NH]1 | | InChi: | InChI=1S/C27H30N6O2/c1-4-8-19-16-20(22-9-6-7-10-23(22)26-30-32-33-31-26)17-24(25(19)35-15-5-2)29-27(34)28-21-13-11-18(3)12-14-21/h6-7,9-14,16-17H,4-5,8,15H2,1-3H3,(H2,28,29,34)(H,30,31,32,33) | | Definition date: | 2023-01-19 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | N-(4-methylphenyl)-N'-[(1P,2'P)-4-propoxy-5-propyl-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-yl]urea |
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 | | YB9 | | Name: | 1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol | | Formula: | C6 H15 N2 O7 P | | SMILES: | O=P(O)(O)OCC(O)C(O)CCNC(N)=O | | InChi: | InChI=1S/C6H15N2O7P/c7-6(11)8-2-1-4(9)5(10)3-15-16(12,13)14/h4-5,9-10H,1-3H2,(H3,7,8,11)(H2,12,13,14)/t4-,5-/m0/s1 | | Definition date: | 2023-01-22 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 1-carbamamido-1,2-dideoxy-5-O-phosphono-L-threo-pentitol |
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 | | XU9 | | Name: | ethyl (8S)-4-(cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate | | Formula: | C15 H14 N2 O2 | | SMILES: | O=C(OCC)c1cnn2cccc(C#CC3CC3)c12 | | InChi: | InChI=1S/C15H14N2O2/c1-2-19-15(18)13-10-16-17-9-3-4-12(14(13)17)8-7-11-5-6-11/h3-4,9-11H,2,5-6H2,1H3 | | Definition date: | 2022-12-12 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | ethyl (8S)-4-(cyclopropylethynyl)pyrazolo[1,5-a]pyridine-3-carboxylate |
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 | | YVU | | Name: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine | | Formula: | C20 H25 N7 O4 S | | SMILES: | Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)NCc2ccccc2)C(O)C1O | | InChi: | InChI=1S/C20H25N7O4S/c21-17-14-18(25-10-24-17)27(11-26-14)19-16(29)15(28)13(31-19)9-32-7-6-22-20(30)23-8-12-4-2-1-3-5-12/h1-5,10-11,13,15-16,19,28-29H,6-9H2,(H2,21,24,25)(H2,22,23,30)/t13-,15-,16-,19-/m1/s1 | | Definition date: | 2023-02-24 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine |
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 | | YW9 | | Name: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline | | Formula: | C11 H13 N3 | | SMILES: | Nc1ccc(cc1)n1nc(C)cc1C | | InChi: | InChI=1S/C11H13N3/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11/h3-7H,12H2,1-2H3 | | Definition date: | 2023-02-28 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline |
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 | | YXF | | Name: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline | | Formula: | C12 H15 N3 | | SMILES: | Nc1ccc(cc1)n1nc(cc1C)CC | | InChi: | InChI=1S/C12H15N3/c1-3-11-8-9(2)15(14-11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3 | | Definition date: | 2023-03-03 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 4-(3-ethyl-5-methyl-1H-pyrazol-1-yl)aniline |
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 | | YXN | | Name: | 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline | | Formula: | C12 H15 N3 | | SMILES: | Nc1ccc(cc1)n1nc(C)cc1CC | | InChi: | InChI=1S/C12H15N3/c1-3-11-8-9(2)14-15(11)12-6-4-10(13)5-7-12/h4-8H,3,13H2,1-2H3 | | Definition date: | 2023-03-03 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 4-(5-ethyl-3-methyl-1H-pyrazol-1-yl)aniline |
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 | | VL9 | | Name: | [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate | | Formula: | C36 H38 Cl2 N3 O7 S | | SMILES: | COc1ccc(cc1OC)[CH](Cc2c(Cl)c[n](O)cc2Cl)OC(=O)c3sc(CN[CH](C(=O)O[CH]4CN5CCC4CC5)c6ccccc6)cc3 | | InChi: | InChI=1S/C36H38Cl2N3O7S/c1-45-29-10-8-24(16-31(29)46-2)30(17-26-27(37)19-41(44)20-28(26)38)47-35(42)33-11-9-25(49-33)18-39-34(23-6-4-3-5-7-23)36(43)48-32-21-40-14-12-22(32)13-15-40/h3-11,16,19-20,22,30,32,34,39,44H,12-15,17-18,21H2,1-2H3/t30-,32-,34+/m0/s1 | | Definition date: | 2023-03-10 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-4-yl]-1-(3,4-dimethoxyphenyl)ethyl] 5-[[[(1~{R})-2-[[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]oxy]-2-oxidanylidene-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate |
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 | | V6U | | Name: | methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate | | Formula: | C17 H16 Cl N5 O2 | | SMILES: | COC(=O)c1ccccc1Cc2cn(C)nc2c3cc(Cl)nc(N)n3 | | InChi: | InChI=1S/C17H16ClN5O2/c1-23-9-11(7-10-5-3-4-6-12(10)16(24)25-2)15(22-23)13-8-14(18)21-17(19)20-13/h3-6,8-9H,7H2,1-2H3,(H2,19,20,21) | | Definition date: | 2023-02-23 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | methyl 2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-methyl-pyrazol-4-yl]methyl]benzoate |
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 | | SJO | | Name: | [(2R,3R,4R,5R)-5-(2-azanyl-8-methyl-6-oxidanylidene-1H-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C12 H18 N5 O8 P | | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2c(C)nc3C(=O)NC(=Nc23)N | | InChi: | InChI=1S/C12H18N5O8P/c1-4-14-6-9(15-12(13)16-10(6)19)17(4)11-8(23-2)7(18)5(25-11)3-24-26(20,21)22/h5,7-8,11,18H,3H2,1-2H3,(H2,20,21,22)(H3,13,15,16,19)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2023-04-12 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-8-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | T0C | | Name: | (2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one | | Formula: | C27 H20 O4 | | SMILES: | OC1=C([CH](OC1=O)c2ccc(OCc3cccc4ccccc34)cc2)c5ccccc5 | | InChi: | InChI=1S/C27H20O4/c28-25-24(19-8-2-1-3-9-19)26(31-27(25)29)20-13-15-22(16-14-20)30-17-21-11-6-10-18-7-4-5-12-23(18)21/h1-16,26,28H,17H2/t26-/m1/s1 | | Definition date: | 2022-12-20 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one |
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 | | GJ6 | | Name: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol | | Formula: | C13 H19 N O3 | | SMILES: | CC(C)N[CH]1CCc2c(O)c(O)ccc2[CH]1O | | InChi: | InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1 | | Definition date: | 2022-05-13 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (5~{R},6~{R})-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
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 | | GO4 | | Name: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide | | Formula: | C28 H25 F N6 O2 | | SMILES: | C[CH](NC(=O)c1cn(C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F)c6 | | InChi: | InChI=1S/C28H25FN6O2/c1-16(18-4-3-5-21(29)12-18)30-27(37)23-15-34(2)24-9-8-19(13-22(23)24)20-10-11-35-25(14-20)31-28(33-35)32-26(36)17-6-7-17/h3-5,8-17H,6-7H2,1-2H3,(H,30,37)(H,32,33,36)/t16-/m0/s1 | | Definition date: | 2022-05-16 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-~{N}-[(1~{S})-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide |
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 | | U1U | | Name: | ~{N}-(3-chloranyl-4-methoxy-phenyl)-7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine | | Formula: | C21 H19 Cl N4 O | | SMILES: | COc1ccc(Nc2ncnc3n(ccc23)c4ccc(C)c(C)c4)cc1Cl | | InChi: | InChI=1S/C21H19ClN4O/c1-13-4-6-16(10-14(13)2)26-9-8-17-20(23-12-24-21(17)26)25-15-5-7-19(27-3)18(22)11-15/h4-12H,1-3H3,(H,23,24,25) | | Definition date: | 2023-01-19 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | ~{N}-(3-chloranyl-4-methoxy-phenyl)-7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | U70 | | Name: | [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine | | Formula: | C22 H21 Cl2 N7 S | | SMILES: | Cc1csc(n1)[C]2(CN)[CH]3CCN(C[CH]23)c4cnc5c([nH]nc5n4)c6cccc(Cl)c6Cl | | InChi: | InChI=1S/C22H21Cl2N7S/c1-11-9-32-21(27-11)22(10-25)13-5-6-31(8-14(13)22)16-7-26-19-18(29-30-20(19)28-16)12-3-2-4-15(23)17(12)24/h2-4,7,9,13-14H,5-6,8,10,25H2,1H3,(H,28,29,30)/t13-,14+,22+/m1/s1 | | Definition date: | 2023-01-26 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | [(1~{S},6~{R},7~{S})-3-[3-[2,3-bis(chloranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyrazin-6-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine |
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 | | U83 | | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | | Formula: | C37 H44 Cl N O8 S | | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4sc(Cl)cc4)c5cccc(OCC(O)=O)c5)cc1OC | | InChi: | InChI=1S/C37H44ClNO8S/c1-44-30-17-15-24(21-31(30)45-2)14-16-29(26-11-8-12-27(22-26)46-23-34(40)41)47-37(43)28-13-6-7-20-39(28)36(42)35(25-9-4-3-5-10-25)32-18-19-33(38)48-32/h8,11-12,15,17-19,21-22,25,28-29,35H,3-7,9-10,13-14,16,20,23H2,1-2H3,(H,40,41)/t28-,29+,35+/m0/s1 | | Definition date: | 2023-01-30 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)-2-cyclohexyl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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 | | U8C | | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | | Formula: | C37 H45 N O8 S | | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4sccc4)c5cccc(OCC(O)=O)c5)cc1OC | | InChi: | InChI=1S/C37H45NO8S/c1-43-31-19-17-25(22-32(31)44-2)16-18-30(27-12-8-13-28(23-27)45-24-34(39)40)46-37(42)29-14-6-7-20-38(29)36(41)35(33-15-9-21-47-33)26-10-4-3-5-11-26/h8-9,12-13,15,17,19,21-23,26,29-30,35H,3-7,10-11,14,16,18,20,24H2,1-2H3,(H,39,40)/t29-,30+,35+/m0/s1 | | Definition date: | 2023-01-30 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-thiophen-2-yl-ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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 | | UBK | | Name: | (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | | Formula: | C35 H41 N3 O8 S | | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC(=O)C(C)(C)NC(=O)COc4cccc2c4)c5sccc5)cc1OC | | InChi: | InChI=1S/C35H41N3O8S/c1-35(2)34(42)36-31(29-12-8-18-47-29)32(40)38-17-6-5-11-25(38)33(41)46-26(15-13-22-14-16-27(43-3)28(19-22)44-4)23-9-7-10-24(20-23)45-21-30(39)37-35/h7-10,12,14,16,18-20,25-26,31H,5-6,11,13,15,17,21H2,1-4H3,(H,36,42)(H,37,39)/t25-,26+,31+/m0/s1 | | Definition date: | 2023-02-01 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
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 | | UC0 | | Name: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid | | Formula: | C34 H38 Cl N O8 S | | SMILES: | COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](CC=C)c3sc(Cl)cc3)c4cccc(OCC(O)=O)c4)cc1OC | | InChi: | InChI=1S/C34H38ClNO8S/c1-4-8-25(30-16-17-31(35)45-30)33(39)36-18-6-5-11-26(36)34(40)44-27(23-9-7-10-24(20-23)43-21-32(37)38)14-12-22-13-15-28(41-2)29(19-22)42-3/h4,7,9-10,13,15-17,19-20,25-27H,1,5-6,8,11-12,14,18,21H2,2-3H3,(H,37,38)/t25-,26+,27-/m1/s1 | | Definition date: | 2023-02-01 | | Last modified: | 2023-04-21 | | Release date: | 2023-04-26 | | Identifier: | 2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-(5-chloranylthiophen-2-yl)pent-4-enoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid |
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