General Information of the Compound
| Compound ID |
CP0490528
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| Compound Name |
2-[(2-chlorophenyl)methylsulfanyl]-6-fluoro-5-piperazin-1-yl-1H-benzimidazole
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| Structure |
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| Formula |
C18H18ClFN4S
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| Molecular Weight |
376.888
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| Canonical SMILES |
Fc1cc2nc(SCc3ccccc3Cl)[nH]c2cc1N1CCNCC1
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| InChI |
InChI=1S/C18H18ClFN4S/c19-13-4-2-1-3-12(13)11-25-18-22-15-9-14(20)17(10-16(15)23-18)24-7-5-21-6-8-24/h1-4,9-10,21H,5-8,11H2,(H,22,23)
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| InChIKey |
RLLNXYHQZGHTKO-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