General Information of the Compound
| Compound ID |
CP0067494
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| Compound Name |
2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C19H19ClF4N2O
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| Molecular Weight |
402.819
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| Canonical SMILES |
Fc1ccc(cc1)C1(COCc2cc(cc(Cl)n2)C(F)(F)F)CCNCC1
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| InChI |
InChI=1S/C19H19ClF4N2O/c20-17-10-14(19(22,23)24)9-16(26-17)11-27-12-18(5-7-25-8-6-18)13-1-3-15(21)4-2-13/h1-4,9-10,25H,5-8,11-12H2
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| InChIKey |
APJYAVYSAZEVQB-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