General Information of the Compound
| Compound ID |
CP0046032
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| Compound Name |
2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
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| Structure |
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| Formula |
C26H27ClN2O2
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| Molecular Weight |
434.967
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C26H27ClN2O2/c27-23-10-6-21(7-11-23)22-8-14-25(15-9-22)31-19-26(30)28-24-12-4-20(5-13-24)18-29-16-2-1-3-17-29/h4-15H,1-3,16-19H2,(H,28,30)
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| InChIKey |
MHPRRIFCBPETQG-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