General Information of the Compound
| Compound ID |
CP0374754
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| Compound Name |
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phenethyl-piperazin-2-one
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| Structure |
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| Formula |
C27H28F2N2O2
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| Molecular Weight |
450.529
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| Canonical SMILES |
Fc1ccc(cc1)C(OCCN1CCN(CCc2ccccc2)CC1=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H28F2N2O2/c28-24-10-6-22(7-11-24)27(23-8-12-25(29)13-9-23)33-19-18-31-17-16-30(20-26(31)32)15-14-21-4-2-1-3-5-21/h1-13,27H,14-20H2
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| InChIKey |
UKJAARKQBNAPHJ-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