General Information of the Compound
| Compound ID |
CP0847192
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| Compound Name |
rac-1-[(Methyloxy)methyl]-6-{4-[(trifluoromethyl)oxy]phenyl}-3-azabicyclo[4.1.0]heptane
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| Structure |
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| Formula |
C15H18F3NO2
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| Molecular Weight |
301.308
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| Canonical SMILES |
COC[C@@]12CNCC[C@]1(c1ccc(OC(F)(F)F)cc1)C2
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| InChI |
InChI=1S/C15H18F3NO2/c1-20-10-13-8-14(13,6-7-19-9-13)11-2-4-12(5-3-11)21-15(16,17)18/h2-5,19H,6-10H2,1H3/t13-,14-/m1/s1
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| InChIKey |
CREVKPZAPMYUJW-ZIAGYGMSSA-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