General Information of the Compound
| Compound ID |
CP0390456
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| Compound Name |
(R)-1-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-ylmethyl}-2-methyl-propylamine
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| Structure |
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| Formula |
C25H32F2N2O
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| Molecular Weight |
414.54
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| Canonical SMILES |
CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H32F2N2O/c1-16(2)24(28)15-29-21-11-12-22(29)14-23(13-21)30-25(17-3-7-19(26)8-4-17)18-5-9-20(27)10-6-18/h3-10,16,21-25H,11-15,28H2,1-2H3/t21?,22?,23?,24-/m0/s1
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| InChIKey |
FJEFLHYWSUMBKN-GVWQBGCGSA-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