General Information of the Compound
| Compound ID |
CP0967489
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| Compound Name |
1-(4-Chloro-phenyl)-4-[4-(1-propyl-butyl)-piperazin-1-yl]-butane-1,4-dione hydrochloride
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| Structure |
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| Formula |
C21H32Cl2N2O2
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| Molecular Weight |
415.405
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| Canonical SMILES |
CCCC(CCC)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1.Cl
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| InChI |
InChI=1S/C21H31ClN2O2.ClH/c1-3-5-19(6-4-2)23-13-15-24(16-14-23)21(26)12-11-20(25)17-7-9-18(22)10-8-17;/h7-10,19H,3-6,11-16H2,1-2H3;1H
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| InChIKey |
XJVVSMBVDXMXEX-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