General Information of the Compound
| Compound ID |
CP0559364
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| Compound Name |
3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
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| Structure |
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| Formula |
C27H25F3N2O
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| Molecular Weight |
450.504
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-6-4-5-20(13-22)17-31)18-33-19-26(9-11-32-12-10-26)24-7-2-1-3-8-24/h1-8,13-16,32H,9-12,18-19H2
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| InChIKey |
IEHYCCXHMLINGC-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