General Information of the Compound
| Compound ID |
CP0528877
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| Compound Name |
2-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
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| Structure |
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| Formula |
C25H25F3N2O
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| Molecular Weight |
426.482
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)-c1ccccn1
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| InChI |
InChI=1S/C25H25F3N2O/c26-25(27,28)22-15-19(14-20(16-22)23-8-4-5-11-30-23)17-31-18-24(9-12-29-13-10-24)21-6-2-1-3-7-21/h1-8,11,14-16,29H,9-10,12-13,17-18H2
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| InChIKey |
MKLPQTSLHXOEGQ-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