General Information of the Compound
| Compound ID |
CP0958969
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| Compound Name |
3-(3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)benzoic acid
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| Structure |
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| Formula |
C22H15ClF3NO4
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| Molecular Weight |
449.812
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| Canonical SMILES |
O=C(O)c1cccc(NC(=O)c2cccc(COc3ccc(C(F)(F)F)cc3Cl)c2)c1
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| InChI |
InChI=1S/C22H15ClF3NO4/c23-18-11-16(22(24,25)26)7-8-19(18)31-12-13-3-1-4-14(9-13)20(28)27-17-6-2-5-15(10-17)21(29)30/h1-11H,12H2,(H,27,28)(H,29,30)
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| InChIKey |
NOLRIQNKAFOJQV-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