General Information of the Compound
| Compound ID |
CP0451710
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| Compound Name |
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2,3-dichlorophenyl)piperazine
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| Structure |
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| Formula |
C25H24Cl2F2N2O
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| Molecular Weight |
477.382
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| Canonical SMILES |
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1cccc(Cl)c1Cl)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H24Cl2F2N2O/c26-22-2-1-3-23(24(22)27)31-14-12-30(13-15-31)16-17-32-25(18-4-8-20(28)9-5-18)19-6-10-21(29)11-7-19/h1-11,25H,12-17H2
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| InChIKey |
IKRITOQRNARPGC-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