General Information of the Compound
| Compound ID |
CP0859134
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| Compound Name |
rac-6-(3,4-dichlorophenyl)-5-fluoro-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
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| Structure |
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| Formula |
C14H16Cl2FNO
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| Molecular Weight |
304.192
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| Canonical SMILES |
COC[C@@]12CNC[C@@H](F)[C@]1(c1ccc(Cl)c(Cl)c1)C2
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| InChI |
InChI=1S/C14H16Cl2FNO/c1-19-8-13-6-14(13,12(17)5-18-7-13)9-2-3-10(15)11(16)4-9/h2-4,12,18H,5-8H2,1H3/t12-,13-,14-/m1/s1
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| InChIKey |
RNWPCCAJXHTPIS-MGPQQGTHSA-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