General Information of the Compound
| Compound ID |
CP0387118
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| Compound Name |
1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-2-amine
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| Structure |
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| Formula |
C16H15ClFN3
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| Molecular Weight |
303.768
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| Canonical SMILES |
Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C
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| InChI |
InChI=1S/C16H15ClFN3/c1-9-5-14-15(6-10(9)2)21(16(19)20-14)8-11-3-4-13(18)12(17)7-11/h3-7H,8H2,1-2H3,(H2,19,20)
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| InChIKey |
XXDDSHXUGVBBOJ-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