General Information of the Compound
| Compound ID |
CP0509240
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| Compound Name |
2-(4-chloro-2-methoxy-6-methylanilino)-7-(diethylamino)-1-methylbenzimidazole-4-carbonitrile
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| Structure |
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| Formula |
C21H24ClN5O
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| Molecular Weight |
397.91
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| Canonical SMILES |
CCN(CC)c1ccc(C#N)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
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| InChI |
InChI=1S/C21H24ClN5O/c1-6-27(7-2)16-9-8-14(12-23)19-20(16)26(4)21(25-19)24-18-13(3)10-15(22)11-17(18)28-5/h8-11H,6-7H2,1-5H3,(H,24,25)
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| InChIKey |
YCLWGFSLBWGCCZ-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