General Information of the Compound
| Compound ID |
CP0958962
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| Compound Name |
3-((2-chloro-4-(trifluoromethoxy)phenoxy)methyl)-5-methylbenzoic acid
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| Structure |
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| Formula |
C16H12ClF3O4
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| Molecular Weight |
360.715
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| Canonical SMILES |
Cc1cc(COc2ccc(OC(F)(F)F)cc2Cl)cc(C(=O)O)c1
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| InChI |
InChI=1S/C16H12ClF3O4/c1-9-4-10(6-11(5-9)15(21)22)8-23-14-3-2-12(7-13(14)17)24-16(18,19)20/h2-7H,8H2,1H3,(H,21,22)
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| InChIKey |
GWKSBYDIISKREG-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