General Information of the Compound
| Compound ID |
CP0535063
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| Compound Name |
methyl 2-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetate
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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 |
COC(=O)CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C24H26F6N2O3/c1-34-22(33)14-31-7-9-32(10-8-31)21(18-5-3-2-4-6-18)16-35-15-17-11-19(23(25,26)27)13-20(12-17)24(28,29)30/h2-6,11-13,21H,7-10,14-16H2,1H3
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| InChIKey |
KYBTWYULZRXBGL-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