General Information of the Compound
| Compound ID |
CP0445577
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| Compound Name |
1-(4-naphthalen-2-yloxybutyl)-4-[4-(trifluoromethyl)phenyl]piperazine
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| Structure |
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| Formula |
C25H27F3N2O
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| Molecular Weight |
428.498
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCN(CCCCOc2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C25H27F3N2O/c26-25(27,28)22-8-10-23(11-9-22)30-16-14-29(15-17-30)13-3-4-18-31-24-12-7-20-5-1-2-6-21(20)19-24/h1-2,5-12,19H,3-4,13-18H2
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| InChIKey |
LAHZDPVQRHGSED-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter