General Information of the Compound
| Compound ID |
CP0436537
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| Compound Name |
4-(2-(aminomethyl)phenyl)-1-(phenyl(o-tolyl)methyl)piperidin-4-ol
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| Structure |
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| Formula |
C26H30N2O
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| Molecular Weight |
386.539
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| Canonical SMILES |
Cc1ccccc1C(N1CCC(O)(CC1)c1ccccc1CN)c1ccccc1
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| InChI |
InChI=1S/C26H30N2O/c1-20-9-5-7-13-23(20)25(21-10-3-2-4-11-21)28-17-15-26(29,16-18-28)24-14-8-6-12-22(24)19-27/h2-14,25,29H,15-19,27H2,1H3
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| InChIKey |
YOCGHUMEFPUDSX-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