General Information of the Compound
| Compound ID |
CP0146759
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| Compound Name |
2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-(2-methylprop-1-enyl)-4-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C24H28F4N2O
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| Molecular Weight |
436.493
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| Canonical SMILES |
CN1CCC(COCc2cc(cc(C=C(C)C)n2)C(F)(F)F)(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H28F4N2O/c1-17(2)12-21-13-19(24(26,27)28)14-22(29-21)15-31-16-23(8-10-30(3)11-9-23)18-4-6-20(25)7-5-18/h4-7,12-14H,8-11,15-16H2,1-3H3
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| InChIKey |
KIMCCCOLDQMMTA-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