General Information of the Compound
| Compound ID |
CP0463703
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| Compound Name |
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(4-chlorophenyl)piperazine
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| Structure |
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| Formula |
C25H25ClF2N2O
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| Molecular Weight |
442.937
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| Canonical SMILES |
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H25ClF2N2O/c26-21-5-11-24(12-6-21)30-15-13-29(14-16-30)17-18-31-25(19-1-7-22(27)8-2-19)20-3-9-23(28)10-4-20/h1-12,25H,13-18H2
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| InChIKey |
NIVPRDQNUQIPLN-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