General Information of the Compound
| Compound ID |
CP0246056
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| Compound Name |
3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-phenethyl-propionamide
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| Structure |
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| Formula |
C20H26N2O2
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| Molecular Weight |
326.44
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| Canonical SMILES |
CNC(c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C20H26N2O2/c1-20(2,18(21-3)16-10-7-11-17(23)14-16)19(24)22-13-12-15-8-5-4-6-9-15/h4-11,14,18,21,23H,12-13H2,1-3H3,(H,22,24)
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| InChIKey |
LUOMARBMGVOTCK-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