General Information of the Compound
| Compound ID |
CP0437199
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| Compound Name |
1-(bis(2-chlorophenyl)methyl)-4-(2-((4-methylpiperazin-1-yl)methyl)phenyl)piperidin-4-ol
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| Structure |
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| Formula |
C30H35Cl2N3O
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| Molecular Weight |
524.536
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| Canonical SMILES |
CN1CCN(Cc2ccccc2C2(O)CCN(CC2)C(c2ccccc2Cl)c2ccccc2Cl)CC1
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| InChI |
InChI=1S/C30H35Cl2N3O/c1-33-18-20-34(21-19-33)22-23-8-2-5-11-26(23)30(36)14-16-35(17-15-30)29(24-9-3-6-12-27(24)31)25-10-4-7-13-28(25)32/h2-13,29,36H,14-22H2,1H3
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| InChIKey |
DMOYSEGTQIGQTM-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