General Information of the Compound
| Compound ID |
CP0454721
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| Compound Name |
2-[[7-bromo-2-(4-chloro-2-methoxy-6-methylanilino)-3-methylbenzimidazol-4-yl]-ethylamino]-N-methylacetamide
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| Structure |
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| Formula |
C21H25BrClN5O2
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| Molecular Weight |
494.821
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| Canonical SMILES |
CCN(CC(=O)NC)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
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| InChI |
InChI=1S/C21H25BrClN5O2/c1-6-28(11-17(29)24-3)15-8-7-14(22)19-20(15)27(4)21(26-19)25-18-12(2)9-13(23)10-16(18)30-5/h7-10H,6,11H2,1-5H3,(H,24,29)(H,25,26)
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| InChIKey |
PCTFQZIHAQNCAM-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