General Information of the Compound
| Compound ID |
CP0942291
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| Compound Name |
1-[4-(1-Ethyl-propyl)-piperazin-1-yl]-4-(4-trifluoromethoxy-phenyl)-butane-1,4-dione hydrochloride
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| Structure |
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| Formula |
C20H28ClF3N2O3
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| Molecular Weight |
436.902
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| Canonical SMILES |
CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(OC(F)(F)F)cc2)CC1.Cl
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| InChI |
InChI=1S/C20H27F3N2O3.ClH/c1-3-16(4-2)24-11-13-25(14-12-24)19(27)10-9-18(26)15-5-7-17(8-6-15)28-20(21,22)23;/h5-8,16H,3-4,9-14H2,1-2H3;1H
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| InChIKey |
MNASCRBRFAESDW-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