General Information of the Compound
| Compound ID |
CP0442010
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| Compound Name |
2-{1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-2-oxo-1,2-dihydro-pyridin-3-yl}-benzaldehyde
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| Structure |
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| Formula |
C24H24N2O3
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| Molecular Weight |
388.467
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| Canonical SMILES |
OC1CCN(CC(c2ccccc2)n2cccc(-c3ccccc3C=O)c2=O)C1
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| InChI |
InChI=1S/C24H24N2O3/c27-17-19-9-4-5-10-21(19)22-11-6-13-26(24(22)29)23(18-7-2-1-3-8-18)16-25-14-12-20(28)15-25/h1-11,13,17,20,23,28H,12,14-16H2
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| InChIKey |
RCERLLBHZQVWIV-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