General Information of the Compound
| Compound ID |
CP0410588
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| Compound Name |
5-(benzhydrylsulfinylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
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| Structure |
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| Formula |
C17H13F3N2O2S
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| Molecular Weight |
366.364
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| Canonical SMILES |
[O-][S+](Cc1nc(no1)C(F)(F)F)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C17H13F3N2O2S/c18-17(19,20)16-21-14(24-22-16)11-25(23)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2
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| InChIKey |
JGLPDUKBODWHIN-UHFFFAOYSA-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