General Information of the Compound
| Compound ID |
CP0397376
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| Compound Name |
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-2-(4-fluorophenyl)acetamide
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| Structure |
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
Fc1ccc(CC(=O)NCCNCCOC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C25H25F3N2O2/c26-21-7-1-18(2-8-21)17-24(31)30-14-13-29-15-16-32-25(19-3-9-22(27)10-4-19)20-5-11-23(28)12-6-20/h1-12,25,29H,13-17H2,(H,30,31)
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| InChIKey |
AWHFBFFVXKIBQI-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter