General Information of the Compound
| Compound ID |
CP0873373
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| Compound Name |
rac-6-(3,4-Dichlorophenyl)-1-{[(2,2,2-trifluoroethyl)oxy]methyl}-3-azabicyclo[4.1.0]heptane
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| Structure |
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| Formula |
C15H16Cl2F3NO
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| Molecular Weight |
354.199
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| Canonical SMILES |
FC(F)(F)COC[C@@]12CNCC[C@]1(c1ccc(Cl)c(Cl)c1)C2
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| InChI |
InChI=1S/C15H16Cl2F3NO/c16-11-2-1-10(5-12(11)17)14-3-4-21-7-13(14,6-14)8-22-9-15(18,19)20/h1-2,5,21H,3-4,6-9H2/t13-,14-/m1/s1
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| InChIKey |
TYRLWIIURFREJC-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