General Information of the Compound
| Compound ID |
CP0181560
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| Compound Name |
2-(cyclohexyldisulfanyl)-6-nitro-1H-benzimidazole
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| Structure |
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| Formula |
C13H15N3O2S2
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| Molecular Weight |
309.416
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(SSC3CCCCC3)[nH]c2c1
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| InChI |
InChI=1S/C13H15N3O2S2/c17-16(18)9-6-7-11-12(8-9)15-13(14-11)20-19-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,14,15)
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| InChIKey |
XUDFAUXQKSZQPE-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