General Information of the Compound
| Compound ID |
CP0558681
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| Compound Name |
2-[[7-bromo-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-ethylamino]-N,N-dimethylacetamide
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| Structure |
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| Formula |
C22H27BrClN5O2
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| Molecular Weight |
508.848
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| Canonical SMILES |
CCN(CC(=O)N(C)C)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
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| InChI |
InChI=1S/C22H27BrClN5O2/c1-7-29(12-18(30)27(3)4)16-9-8-15(23)20-21(16)28(5)22(26-20)25-19-13(2)10-14(24)11-17(19)31-6/h8-11H,7,12H2,1-6H3,(H,25,26)
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| InChIKey |
OJBADMYPEAMXFW-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