General Information of the Compound
| Compound ID |
CP0262654
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| Compound Name |
2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imidazol-5-yl)piperazin-1-yl)ethanol
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| Structure |
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| Formula |
C18H27ClN4OS
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| Molecular Weight |
382.961
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| Canonical SMILES |
CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)
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| InChIKey |
DSETYSNYVDMLCU-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: PT01200, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor