General Information of the Compound
| Compound ID |
CP0431950
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| Compound Name |
2-((4-hydroxy-4-phenylpiperidin-1-yl)(phenyl)methyl)benzoic acid
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| Structure |
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| Formula |
C25H25NO3
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| Molecular Weight |
387.479
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| Canonical SMILES |
OC(=O)c1ccccc1C(N1CCC(O)(CC1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H25NO3/c27-24(28)22-14-8-7-13-21(22)23(19-9-3-1-4-10-19)26-17-15-25(29,16-18-26)20-11-5-2-6-12-20/h1-14,23,29H,15-18H2,(H,27,28)
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| InChIKey |
TWUUONUASYAYNH-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