General Information of the Compound
| Compound ID |
CP0508671
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| Compound Name |
1-[4-[4-[5-(diethylcarbamoyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]butyl-methylamino]butyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C51H67N7O4
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| Molecular Weight |
842.142
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCCCN(C)CCCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
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| InChI |
InChI=1S/C51H67N7O4/c1-8-55(9-2)50(59)40-22-28-46-44(36-40)52-48(34-38-18-24-42(25-19-38)61-12-5)57(46)32-16-14-30-54(7)31-15-17-33-58-47-29-23-41(51(60)56(10-3)11-4)37-45(47)53-49(58)35-39-20-26-43(27-21-39)62-13-6/h18-29,36-37H,8-17,30-35H2,1-7H3
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| InChIKey |
CDZMVIDKSVUZAX-UHFFFAOYSA-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