General Information of the Compound
| Compound ID |
CP0382331
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| Compound Name |
2-(4-Pentyl-piperazin-1-yl)-1,4-diphenyl-butane-1,4-dione
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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 |
CCCCCN1CCN(CC1)C(CC(=O)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C25H32N2O2/c1-2-3-10-15-26-16-18-27(19-17-26)23(25(29)22-13-8-5-9-14-22)20-24(28)21-11-6-4-7-12-21/h4-9,11-14,23H,2-3,10,15-20H2,1H3
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| InChIKey |
BVDCRVMWNQTQFJ-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