General Information of the Compound
| Compound ID |
CP0860673
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| Compound Name |
N-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-butyl)-2-phenyl-acetamide
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| Structure |
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| Formula |
C26H28F2N2O2
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| Molecular Weight |
438.518
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| Canonical SMILES |
O=C(CCc1ccccc1)NCCNCCOC(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H28F2N2O2/c27-23-11-7-21(8-12-23)26(22-9-13-24(28)14-10-22)32-19-18-29-16-17-30-25(31)15-6-20-4-2-1-3-5-20/h1-5,7-14,26,29H,6,15-19H2,(H,30,31)
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| InChIKey |
LZTYLQCFLVOYDH-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