General Information of the Compound
| Compound ID |
CP0440733
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| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-methoxyphenyl)ethyl]piperazine
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| Structure |
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| Formula |
C22H24F6N2O2
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| Molecular Weight |
462.434
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| Canonical SMILES |
COc1ccc(cc1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1
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| InChI |
InChI=1S/C22H24F6N2O2/c1-31-19-4-2-16(3-5-19)20(30-8-6-29-7-9-30)14-32-13-15-10-17(21(23,24)25)12-18(11-15)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3
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| InChIKey |
FSEPNMHZPYCNIX-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