General Information of the Compound
| Compound ID |
CP0405248
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| Compound Name |
2'-(2-methoxy-ethoxy)-3-trifluoromethyl-biphenyl-4-carbonitrile
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| Structure |
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| Formula |
C17H14F3NO2
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| Molecular Weight |
321.298
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| Canonical SMILES |
COCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3NO2/c1-22-8-9-23-16-5-3-2-4-14(16)12-6-7-13(11-21)15(10-12)17(18,19)20/h2-7,10H,8-9H2,1H3
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| InChIKey |
CHHRDNFDMXUBTJ-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