General Information of the Compound
| Compound ID |
CP0481315
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| Compound Name |
4-(mesityloxy)-2-(trifluoromethyl)benzonitrile
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| Synonyms |
4-(mesityloxy)-2-(trifluoromethyl)benzonitrile
CHEMBL513768
SCHEMBL4163778
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| Structure |
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| Formula |
C17H14F3NO
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| Molecular Weight |
305.299
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| Canonical SMILES |
Cc1cc(C)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1
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| InChI |
InChI=1S/C17H14F3NO/c1-10-6-11(2)16(12(3)7-10)22-14-5-4-13(9-21)15(8-14)17(18,19)20/h4-8H,1-3H3
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| InChIKey |
XMMDWVWTOYZZAJ-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