General Information of the Compound
| Compound ID |
CP0051328
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| Compound Name |
N-[3-[1-[4-(3,4-dimethylphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C25H32N2O2
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| Molecular Weight |
392.543
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCC(=O)c2ccc(C)c(C)c2)CC1
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| InChI |
InChI=1S/C25H32N2O2/c1-18-9-10-23(16-19(18)2)25(29)8-5-13-27-14-11-21(12-15-27)22-6-4-7-24(17-22)26-20(3)28/h4,6-7,9-10,16-17,21H,5,8,11-15H2,1-3H3,(H,26,28)
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| InChIKey |
ZGGXNCTZASWEAU-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