General Information of the Compound
| Compound ID |
CP0464358
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| Compound Name |
3-phenyl-1-(2-(2-(piperidin-1-yl)ethoxy)phenyl)propan-1-one
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| Structure |
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| Formula |
C22H27NO2
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| Molecular Weight |
337.463
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccccc1OCCN1CCCCC1
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| InChI |
InChI=1S/C22H27NO2/c24-21(14-13-19-9-3-1-4-10-19)20-11-5-6-12-22(20)25-18-17-23-15-7-2-8-16-23/h1,3-6,9-12H,2,7-8,13-18H2
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| InChIKey |
YBJIQCZPGDJICM-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