General Information of the Compound
| Compound ID |
CP0549050
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| Compound Name |
2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N,4-N-diethyl-7-methoxy-3-methylbenzimidazole-2,4-diamine
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| Structure |
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| Formula |
C21H27ClN4O2
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| Molecular Weight |
402.926
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| Canonical SMILES |
CCN(CC)c1ccc(OC)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
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| InChI |
InChI=1S/C21H27ClN4O2/c1-7-26(8-2)15-9-10-16(27-5)19-20(15)25(4)21(24-19)23-18-13(3)11-14(22)12-17(18)28-6/h9-12H,7-8H2,1-6H3,(H,23,24)
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| InChIKey |
VSWVKKOYGUXYRY-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