General Information of the Compound
| Compound ID |
CP0511515
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| Compound Name |
6-fluoro-2-[(4-fluorophenyl)methylsulfanyl]-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
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| Structure |
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| Formula |
C19H20F2N4S
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| Molecular Weight |
374.46
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| Canonical SMILES |
CN1CCN(CC1)c1cc2[nH]c(SCc3ccc(F)cc3)nc2cc1F
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| InChI |
InChI=1S/C19H20F2N4S/c1-24-6-8-25(9-7-24)18-11-17-16(10-15(18)21)22-19(23-17)26-12-13-2-4-14(20)5-3-13/h2-5,10-11H,6-9,12H2,1H3,(H,22,23)
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| InChIKey |
NPSUGZFKWNMBHA-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