General Information of the Compound
| Compound ID |
CP0376965
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| Compound Name |
N-[[4-[4-(3-cyanophenyl)phenyl]-1-methylpiperidin-4-yl]methyl]-2-(3,5-dichlorophenyl)acetamide
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| Structure |
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| Formula |
C28H27Cl2N3O
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| Molecular Weight |
492.45
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| Canonical SMILES |
CN1CCC(CNC(=O)Cc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C28H27Cl2N3O/c1-33-11-9-28(10-12-33,19-32-27(34)16-21-14-25(29)17-26(30)15-21)24-7-5-22(6-8-24)23-4-2-3-20(13-23)18-31/h2-8,13-15,17H,9-12,16,19H2,1H3,(H,32,34)
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| InChIKey |
JHQDXCQYPAJOOW-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