General Information of the Compound
| Compound ID |
CP0946883
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| Compound Name |
1-[4-(1-Ethyl-propyl)-piperazin-1-yl]-4-(3-fluoro-4-trifluoromethoxy-phenyl)-butane-1,4-dione hydrochloride
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| Structure |
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| Formula |
C20H30ClFN2O3
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| Molecular Weight |
400.922
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| Canonical SMILES |
CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC)c(F)c2)CC1.Cl
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| InChI |
InChI=1S/C20H29FN2O3.ClH/c1-4-16(5-2)22-10-12-23(13-11-22)20(25)9-7-18(24)15-6-8-19(26-3)17(21)14-15;/h6,8,14,16H,4-5,7,9-13H2,1-3H3;1H
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| InChIKey |
AIRQVZRBVKNYOE-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