General Information of the Compound
| Compound ID |
CP0958966
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| Compound Name |
3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-5-(2-methyloxazol-4-yl)benzoic acid
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| Structure |
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| Formula |
C19H13ClF3NO4
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| Molecular Weight |
411.763
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| Canonical SMILES |
Cc1nc(-c2cc(COc3ccc(C(F)(F)F)cc3Cl)cc(C(=O)O)c2)co1
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| InChI |
InChI=1S/C19H13ClF3NO4/c1-10-24-16(9-27-10)12-4-11(5-13(6-12)18(25)26)8-28-17-3-2-14(7-15(17)20)19(21,22)23/h2-7,9H,8H2,1H3,(H,25,26)
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| InChIKey |
DJKFPYWYYYJTTA-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