General Information of the Compound
| Compound ID |
CP0437111
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| Compound Name |
2-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]pyrimidine
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| Structure |
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| Formula |
C23H24F2N4O
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| Molecular Weight |
410.468
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| Canonical SMILES |
Fc1ccc(cc1)C(OCCN1CCN(CC1)c1ncccn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H24F2N4O/c24-20-6-2-18(3-7-20)22(19-4-8-21(25)9-5-19)30-17-16-28-12-14-29(15-13-28)23-26-10-1-11-27-23/h1-11,22H,12-17H2
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| InChIKey |
SLLZSSYGWKWYQJ-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