General Information of the Compound
| Compound ID |
CP0962240
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| Compound Name |
3-cyano-5-((2-methyl-4-(trifluoromethyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C17H12F3NO3
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| Molecular Weight |
335.281
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| Canonical SMILES |
Cc1cc(C(F)(F)F)ccc1OCc1cc(C#N)cc(C(=O)O)c1
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| InChI |
InChI=1S/C17H12F3NO3/c1-10-4-14(17(18,19)20)2-3-15(10)24-9-12-5-11(8-21)6-13(7-12)16(22)23/h2-7H,9H2,1H3,(H,22,23)
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| InChIKey |
AOLFGAICWOURJE-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