General Information of the Compound
| Compound ID |
CP0453754
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| Compound Name |
N-[4-[[(1-butanoylpiperidin-4-yl)amino]methyl]naphthalen-1-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C28H33N3O2
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| Molecular Weight |
443.591
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| Canonical SMILES |
CCCC(=O)N1CCC(CC1)NCc1ccc(NC(=O)c2ccccc2C)c2ccccc12
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| InChI |
InChI=1S/C28H33N3O2/c1-3-8-27(32)31-17-15-22(16-18-31)29-19-21-13-14-26(25-12-7-6-11-24(21)25)30-28(33)23-10-5-4-9-20(23)2/h4-7,9-14,22,29H,3,8,15-19H2,1-2H3,(H,30,33)
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| InChIKey |
ICGHIKITHSJYDX-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