General Information of the Compound
| Compound ID |
CP0139957
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| Compound Name |
3-[Bis-(4-fluoro-phenyl)-methoxy]-8-butyl-8-aza-bicyclo[3.2.1]octane
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| Structure |
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| Formula |
C24H29F2NO
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| Molecular Weight |
385.498
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| Canonical SMILES |
CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H29F2NO/c1-2-3-14-27-21-12-13-22(27)16-23(15-21)28-24(17-4-8-19(25)9-5-17)18-6-10-20(26)11-7-18/h4-11,21-24H,2-3,12-16H2,1H3
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| InChIKey |
HZEVDVGPBUFIAW-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT00884, Sodium-dependent dopamine transporter