General Information of the Compound
| Compound ID |
CP0969016
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| Compound Name |
3-((2-chloro-3-(trifluoromethyl)phenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C15H10ClF3O3
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| Molecular Weight |
330.689
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| Canonical SMILES |
O=C(O)c1cccc(COc2cccc(C(F)(F)F)c2Cl)c1
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| InChI |
InChI=1S/C15H10ClF3O3/c16-13-11(15(17,18)19)5-2-6-12(13)22-8-9-3-1-4-10(7-9)14(20)21/h1-7H,8H2,(H,20,21)
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| InChIKey |
YQMUINVMKGUAQN-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