General Information of the Compound
| Compound ID |
CP0879412
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| Compound Name |
rac-6-(3-Chloro-4-fluorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane
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| Structure |
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| Formula |
C14H17ClFNO
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| Molecular Weight |
269.747
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| Canonical SMILES |
COC[C@@]12CNCC[C@]1(c1ccc(F)c(Cl)c1)C2
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| InChI |
InChI=1S/C14H17ClFNO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-12(16)11(15)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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| InChIKey |
SAIAWHLAJVOTCR-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