General Information of the Compound
| Compound ID |
CP0462133
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| Compound Name |
ethyl 1-(3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
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| Structure |
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| Formula |
C29H33NO2
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| Molecular Weight |
427.588
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| Canonical SMILES |
CCOC(=O)C1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C29H33NO2/c1-2-32-28(31)29(26-16-10-5-11-17-26)19-22-30(23-20-29)21-18-27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,2,18-23H2,1H3
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| InChIKey |
CMWXNQGRYHAOPT-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