General Information of the Compound
| Compound ID |
CP0492042
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| Compound Name |
2-[3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C24H30F2N2O
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| Molecular Weight |
400.513
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| Canonical SMILES |
CN(C)CCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H30F2N2O/c1-27(2)13-14-28-21-11-12-22(28)16-23(15-21)29-24(17-3-7-19(25)8-4-17)18-5-9-20(26)10-6-18/h3-10,21-24H,11-16H2,1-2H3
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| InChIKey |
BUKVGHYPCOCXBN-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter