General Information of the Compound
| Compound ID |
CP0417778
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| Compound Name |
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-2-one
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| Structure |
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| Formula |
C21H19F6NO2
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| Molecular Weight |
431.376
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| Canonical SMILES |
FC(F)(F)c1cc(COCC2(CCNC(=O)C2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H19F6NO2/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)12-30-13-19(6-7-28-18(29)11-19)15-4-2-1-3-5-15/h1-5,8-10H,6-7,11-13H2,(H,28,29)
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| InChIKey |
HBDJTAXFKXXUNZ-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