General Information of the Compound
| Compound ID |
CP0188443
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| Compound Name |
[2-(cyclohexyldisulfanyl)-3H-benzimidazol-5-yl]-phenylmethanone
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| Structure |
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| Formula |
C20H20N2OS2
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| Molecular Weight |
368.527
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| Canonical SMILES |
O=C(c1ccccc1)c1ccc2nc(SSC3CCCCC3)[nH]c2c1
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| InChI |
InChI=1S/C20H20N2OS2/c23-19(14-7-3-1-4-8-14)15-11-12-17-18(13-15)22-20(21-17)25-24-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,21,22)
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| InChIKey |
TYGGRMZGJNJNDQ-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