General Information of the Compound
| Compound ID |
CP0463693
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| Compound Name |
N-[2-(3,4-dichlorophenyl)-4-(4-hydroxypiperidin-1-yl)butyl]-N-methylbenzamide
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| Structure |
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| Formula |
C23H28Cl2N2O2
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| Molecular Weight |
435.395
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| Canonical SMILES |
CN(CC(CCN1CCC(O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C23H28Cl2N2O2/c1-26(23(29)17-5-3-2-4-6-17)16-19(18-7-8-21(24)22(25)15-18)9-12-27-13-10-20(28)11-14-27/h2-8,15,19-20,28H,9-14,16H2,1H3
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| InChIKey |
YJAQMWFTGRCBCP-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