General Information of the Compound
| Compound ID |
CP0857795
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| Compound Name |
N-((E)-2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-vinyl)-2-(4-bromo-phenyl)-acetamide
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| Structure |
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| Formula |
C26H25BrF2N2O2
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| Molecular Weight |
515.398
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| Canonical SMILES |
O=C(CCc1ccc(Br)cc1)N/C=C/NCCOC(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H25BrF2N2O2/c27-22-8-1-19(2-9-22)3-14-25(32)31-16-15-30-17-18-33-26(20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21/h1-2,4-13,15-16,26,30H,3,14,17-18H2,(H,31,32)/b16-15+
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| InChIKey |
CEQQBJFDYJRGJS-FOCLMDBBSA-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