General Information of the Compound
| Compound ID |
CP0456617
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| Compound Name |
N-[2-[4-[4-[4-(4-chlorophenyl)piperidin-1-yl]butanoyl]phenyl]ethyl]acetamide
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| Structure |
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| Formula |
C25H31ClN2O2
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| Molecular Weight |
426.988
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| Canonical SMILES |
CC(=O)NCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H31ClN2O2/c1-19(29)27-15-12-20-4-6-23(7-5-20)25(30)3-2-16-28-17-13-22(14-18-28)21-8-10-24(26)11-9-21/h4-11,22H,2-3,12-18H2,1H3,(H,27,29)
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| InChIKey |
WIKHLOSAQOFDGC-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