General Information of the Compound
| Compound ID |
CP0435294
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| Compound Name |
4-(2-(aminomethyl)phenyl)-1-(cycloheptylmethyl)piperidin-4-ol
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| Structure |
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| Formula |
C20H32N2O
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| Molecular Weight |
316.489
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| Canonical SMILES |
NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1
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| InChI |
InChI=1S/C20H32N2O/c21-15-18-9-5-6-10-19(18)20(23)11-13-22(14-12-20)16-17-7-3-1-2-4-8-17/h5-6,9-10,17,23H,1-4,7-8,11-16,21H2
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| InChIKey |
YFTOEXGSRXAKRE-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