General Information of the Compound
| Compound ID |
CP0203058
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| Compound Name |
3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile
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| Synonyms |
3,2''-bis-trifluoromethyl-biphenyl-4-carbonitrile
3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile
582293-27-4
BDBM50220379
CHEMBL396656
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| Structure |
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| Formula |
C15H7F6N
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| Molecular Weight |
315.216
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1C#N)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C15H7F6N/c16-14(17,18)12-4-2-1-3-11(12)9-5-6-10(8-22)13(7-9)15(19,20)21/h1-7H
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| InChIKey |
LVFYAAITUNIVMI-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
Clinical Information about the Compound