General Information of the Compound
| Compound ID |
CP0964543
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| Compound Name |
3-((4-cyano-2-(trifluoromethyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C16H10F3NO3
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| Molecular Weight |
321.254
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| Canonical SMILES |
N#Cc1ccc(OCc2cccc(C(=O)O)c2)c(C(F)(F)F)c1
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| InChI |
InChI=1S/C16H10F3NO3/c17-16(18,19)13-7-10(8-20)4-5-14(13)23-9-11-2-1-3-12(6-11)15(21)22/h1-7H,9H2,(H,21,22)
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| InChIKey |
SMEULVFCDUSBFS-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