General Information of the Compound
| Compound ID |
CP0433652
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| Compound Name |
2-[4-[6-chloro-2-(1-methylcyclohexyl)sulfanyl-1H-benzimidazol-5-yl]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C20H29ClN4OS
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| Molecular Weight |
408.999
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| Canonical SMILES |
CC1(CCCCC1)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C20H29ClN4OS/c1-20(5-3-2-4-6-20)27-19-22-16-13-15(21)18(14-17(16)23-19)25-9-7-24(8-10-25)11-12-26/h13-14,26H,2-12H2,1H3,(H,22,23)
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| InChIKey |
HQLKBNKGADRQPJ-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