General Information of the Compound
| Compound ID |
CP0461908
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| Compound Name |
1-(bis(2-chlorophenyl)methyl)-4-(2-(piperazin-1-ylmethyl)phenyl)piperidin-4-ol
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| Structure |
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| Formula |
C29H33Cl2N3O
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| Molecular Weight |
510.509
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| Canonical SMILES |
OC1(CCN(CC1)C(c1ccccc1Cl)c1ccccc1Cl)c1ccccc1CN1CCNCC1
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| InChI |
InChI=1S/C29H33Cl2N3O/c30-26-11-5-2-8-23(26)28(24-9-3-6-12-27(24)31)34-17-13-29(35,14-18-34)25-10-4-1-7-22(25)21-33-19-15-32-16-20-33/h1-12,28,32,35H,13-21H2
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| InChIKey |
ROLCHVRRPRQQIU-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