General Information of the Compound
| Compound ID |
CP0156039
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| Compound Name |
2-chloro-6-[[4-(2-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C20H21ClF4N2O
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| Molecular Weight |
416.846
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| Canonical SMILES |
CN1CCC(COCc2cc(cc(Cl)n2)C(F)(F)F)(CC1)c1ccccc1F
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| InChI |
InChI=1S/C20H21ClF4N2O/c1-27-8-6-19(7-9-27,16-4-2-3-5-17(16)22)13-28-12-15-10-14(20(23,24)25)11-18(21)26-15/h2-5,10-11H,6-9,12-13H2,1H3
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| InChIKey |
YYRRLEKGQAPWHL-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