General Information of the Compound
| Compound ID |
CP0475035
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| Compound Name |
4-(((3-chloro-4-(4-chlorophenoxy)phenyl)(5-methyl-1H-benzo[d]imidazol-2-yl)amino)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Structure |
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| Formula |
C29H22Cl2N8O2
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| Molecular Weight |
585.455
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| Canonical SMILES |
Cc1ccc2nc([nH]c2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1
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| InChI |
InChI=1S/C29H22Cl2N8O2/c1-17-2-12-24-25(14-17)33-29(32-24)39(16-18-3-5-19(6-4-18)27(40)34-28-35-37-38-36-28)21-9-13-26(23(31)15-21)41-22-10-7-20(30)8-11-22/h2-15H,16H2,1H3,(H,32,33)(H2,34,35,36,37,38,40)
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| InChIKey |
AJDHVQNHDFFNGF-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