General Information of the Compound
| Compound ID |
CP0441138
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| Compound Name |
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(3'-trifluoromethyl)piperazine
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| Structure |
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| Formula |
C28H31F3N2O2
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| Molecular Weight |
484.562
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C28H31F3N2O2/c1-34-26-10-4-6-22(20-26)12-13-23-7-2-3-11-27(23)35-19-18-32-14-16-33(17-15-32)25-9-5-8-24(21-25)28(29,30)31/h2-11,20-21H,12-19H2,1H3
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| InChIKey |
PXVPRODQEGDLBS-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