General Information of the Compound
| Compound ID |
CP0399144
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| Compound Name |
3-methoxy-4-(o-tolyloxy)benzonitrile
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| Synonyms |
3-methoxy-4-(o-tolyloxy)benzonitrile
CHEMBL449867
SCHEMBL4183144
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| Structure |
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| Formula |
C15H13NO2
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| Molecular Weight |
239.274
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| Canonical SMILES |
COc1cc(ccc1Oc1ccccc1C)C#N
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| InChI |
InChI=1S/C15H13NO2/c1-11-5-3-4-6-13(11)18-14-8-7-12(10-16)9-15(14)17-2/h3-9H,1-2H3
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| InChIKey |
VDMHQBDHJWOOTF-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