General Information of the Compound
| Compound ID |
CP0911507
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| Compound Name |
Methyl [(S)-1-((S)-2-{5-[4-(5-{2-[(S)-1-((S)-2-methoxycarbonylamino-3-methylbutyryl)pyrrolidin-2-yl]-3H-imidazol-4-yl}-[1,1';3',1'']terphenyl-2-yl)buta-1,3-diynyl]-1H-imidazol-2-yl}pyrrolidine-1-carbonyl)-2-methylpropyl]carbamate dihydrochloride
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| Structure |
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| Formula |
C50H56Cl2N8O6
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| Molecular Weight |
935.954
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(C#CC#Cc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2-c2cccc(-c3ccccc3)c2)[nH]1)C(C)C.Cl.Cl
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| InChI |
InChI=1S/C50H54N8O6.2ClH/c1-31(2)43(55-49(61)63-5)47(59)57-25-13-21-41(57)45-51-29-38(53-45)20-11-10-17-34-23-24-37(28-39(34)36-19-12-18-35(27-36)33-15-8-7-9-16-33)40-30-52-46(54-40)42-22-14-26-58(42)48(60)44(32(3)4)56-50(62)64-6;;/h7-9,12,15-16,18-19,23-24,27-32,41-44H,13-14,21-22,25-26H2,1-6H3,(H,51,53)(H,52,54)(H,55,61)(H,56,62);2*1H/t41-,42-,43-,44-;;/m0../s1
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| InChIKey |
CUSIGCMDCJYENH-PLGVYSAESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound