General Information of the Compound
| Compound ID |
CP0565832
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| Compound Name |
N-[2-(azepan-1-yl)phenyl]-2-(3-chlorophenyl)acetamide
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| Structure |
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| Formula |
C20H23ClN2O
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| Molecular Weight |
342.87
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| Canonical SMILES |
Clc1cccc(CC(=O)Nc2ccccc2N2CCCCCC2)c1
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| InChI |
InChI=1S/C20H23ClN2O/c21-17-9-7-8-16(14-17)15-20(24)22-18-10-3-4-11-19(18)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,22,24)
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| InChIKey |
JEOPXNLVIXKPEN-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