General Information of the Compound
| Compound ID |
CP0387114
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| Compound Name |
1-[(3-chloro-4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole
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| Structure |
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| Formula |
C18H18ClFN4
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| Molecular Weight |
344.821
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| Canonical SMILES |
Fc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1Cl
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| InChI |
InChI=1S/C18H18ClFN4/c19-14-11-13(5-6-15(14)20)12-24-17-4-2-1-3-16(17)22-18(24)23-9-7-21-8-10-23/h1-6,11,21H,7-10,12H2
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| InChIKey |
QOBDXKQAONLORV-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