General Information of the Compound
| Compound ID |
CP0067492
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| Compound Name |
4-chloro-2-[(4-phenylpiperidin-4-yl)methoxymethyl]-6-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C19H20ClF3N2O
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| Molecular Weight |
384.829
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| Canonical SMILES |
FC(F)(F)c1cc(Cl)cc(COCC2(CCNCC2)c2ccccc2)n1
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| InChI |
InChI=1S/C19H20ClF3N2O/c20-15-10-16(25-17(11-15)19(21,22)23)12-26-13-18(6-8-24-9-7-18)14-4-2-1-3-5-14/h1-5,10-11,24H,6-9,12-13H2
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| InChIKey |
ZSOOJAUDBXFRSU-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
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT01410, Substance-P receptor