General Information of the Compound
| Compound ID |
CP0316057
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| Compound Name |
2-(2,5-dihydropyrrol-1-yl)-6-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C24H27F4N3O
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| Molecular Weight |
449.492
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| Canonical SMILES |
CN1CCC(COCc2cc(cc(n2)N2CC=CC2)C(F)(F)F)(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H27F4N3O/c1-30-12-8-23(9-13-30,18-4-6-20(25)7-5-18)17-32-16-21-14-19(24(26,27)28)15-22(29-21)31-10-2-3-11-31/h2-7,14-15H,8-13,16-17H2,1H3
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| InChIKey |
QXVKDIRFPUDMDU-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