General Information of the Compound
| Compound ID |
CP0247273
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| Compound Name |
2-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-6-[(E)-prop-1-enyl]-4-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C23H26F4N2O
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| Molecular Weight |
422.466
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| Canonical SMILES |
C\C=C\c1cc(cc(COCC2(CCN(C)CC2)c2ccc(F)cc2)n1)C(F)(F)F
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| InChI |
InChI=1S/C23H26F4N2O/c1-3-4-20-13-18(23(25,26)27)14-21(28-20)15-30-16-22(9-11-29(2)12-10-22)17-5-7-19(24)8-6-17/h3-8,13-14H,9-12,15-16H2,1-2H3/b4-3+
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| InChIKey |
KKAOSLVZYZWJBY-ONEGZZNKSA-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