General Information of the Compound
| Compound ID |
CP0484089
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| Compound Name |
6-fluoro-2-[(3-methylphenyl)methylsulfanyl]-5-piperazin-1-yl-1H-benzimidazole
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| Structure |
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| Formula |
C19H21FN4S
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| Molecular Weight |
356.47
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| Canonical SMILES |
Cc1cccc(CSc2nc3cc(F)c(cc3[nH]2)N2CCNCC2)c1
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| InChI |
InChI=1S/C19H21FN4S/c1-13-3-2-4-14(9-13)12-25-19-22-16-10-15(20)18(11-17(16)23-19)24-7-5-21-6-8-24/h2-4,9-11,21H,5-8,12H2,1H3,(H,22,23)
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| InChIKey |
KUOMGSRTKNJTRH-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