General Information of the Compound
| Compound ID |
CP0432431
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| Compound Name |
3-(3-Hydroxymethyl-phenyl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one
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| Structure |
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| Formula |
C24H26N2O3
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| Molecular Weight |
390.483
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| Canonical SMILES |
OCc1cccc(c1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O
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| InChI |
InChI=1S/C24H26N2O3/c27-17-18-6-4-9-20(14-18)22-10-5-12-26(24(22)29)23(19-7-2-1-3-8-19)16-25-13-11-21(28)15-25/h1-10,12,14,21,23,27-28H,11,13,15-17H2
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| InChIKey |
CZIDHILBPYABIX-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