General Information of the Compound
| Compound ID |
CP0531835
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| Compound Name |
2-methyl-N-[[1-[2-(3-phenylphenoxy)ethyl]piperidin-4-yl]methyl]benzamide
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| Structure |
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| Formula |
C28H32N2O2
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| Molecular Weight |
428.576
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| Canonical SMILES |
Cc1ccccc1C(=O)NCC1CCN(CCOc2cccc(c2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C28H32N2O2/c1-22-8-5-6-13-27(22)28(31)29-21-23-14-16-30(17-15-23)18-19-32-26-12-7-11-25(20-26)24-9-3-2-4-10-24/h2-13,20,23H,14-19,21H2,1H3,(H,29,31)
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| InChIKey |
KPYHYLWVFLGQPS-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