General Information of the Compound
| Compound ID |
CP0493342
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| Compound Name |
2-[4-(6-chloro-2-cyclohexylsulfanyl-1H-benzimidazol-5-yl)piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C19H27ClN4OS
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| Molecular Weight |
394.972
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| Canonical SMILES |
OCCN1CCN(CC1)c1cc2[nH]c(SC3CCCCC3)nc2cc1Cl
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| InChI |
InChI=1S/C19H27ClN4OS/c20-15-12-16-17(22-19(21-16)26-14-4-2-1-3-5-14)13-18(15)24-8-6-23(7-9-24)10-11-25/h12-14,25H,1-11H2,(H,21,22)
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| InChIKey |
ZHZQIRSFWGZCIX-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
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor