General Information of the Compound
| Compound ID |
CP0513976
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| Compound Name |
N-[1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxopentan-2-yl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C27H29ClN2O2
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| Molecular Weight |
448.994
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| Canonical SMILES |
CCCC(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H29ClN2O2/c1-2-5-25(29-26(31)23-9-8-19-6-3-4-7-22(19)18-23)27(32)30-16-14-21(15-17-30)20-10-12-24(28)13-11-20/h3-4,6-13,18,21,25H,2,5,14-17H2,1H3,(H,29,31)
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| InChIKey |
HJEJGZGXMRYDDF-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