General Information of the Compound
| Compound ID |
CP0529165
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| Compound Name |
1-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-(pyridin-2-ylmethyl)piperazine
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| Structure |
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| Formula |
C27H27F6N3O
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| Molecular Weight |
523.521
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| Canonical SMILES |
FC(F)(F)c1cc(COCC(N2CCN(Cc3ccccn3)CC2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H27F6N3O/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)36-12-10-35(11-13-36)17-24-8-4-5-9-34-24/h1-9,14-16,25H,10-13,17-19H2
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| InChIKey |
CUTMHNXVJPFDHF-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