General Information of the Compound
| Compound ID |
CP0433321
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| Compound Name |
4-(2-(aminomethyl)phenyl)-1-((2-bromophenyl)(phenyl)methyl)piperidin-4-ol
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| Structure |
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| Formula |
C25H27BrN2O
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| Molecular Weight |
451.408
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| Canonical SMILES |
NCc1ccccc1C1(O)CCN(CC1)C(c1ccccc1)c1ccccc1Br
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| InChI |
InChI=1S/C25H27BrN2O/c26-23-13-7-5-11-21(23)24(19-8-2-1-3-9-19)28-16-14-25(29,15-17-28)22-12-6-4-10-20(22)18-27/h1-13,24,29H,14-18,27H2
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| InChIKey |
JLNSPGUVBHYHJF-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