General Information of the Compound
| Compound ID |
CP0448410
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| Compound Name |
ethyl 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C24H26F6N2O3
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| Molecular Weight |
504.471
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C24H26F6N2O3/c1-2-35-22(33)32-10-8-31(9-11-32)21(18-6-4-3-5-7-18)16-34-15-17-12-19(23(25,26)27)14-20(13-17)24(28,29)30/h3-7,12-14,21H,2,8-11,15-16H2,1H3
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| InChIKey |
IMMRQJKFAMQIFK-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