General Information of the Compound
| Compound ID |
CP0957390
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| Compound Name |
3-((2-chloro-4-(trifluoromethoxy)phenoxy)methyl)-5-cyanobenzoic acid
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| Structure |
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| Formula |
C16H9ClF3NO4
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| Molecular Weight |
371.698
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| Canonical SMILES |
N#Cc1cc(COc2ccc(OC(F)(F)F)cc2Cl)cc(C(=O)O)c1
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| InChI |
InChI=1S/C16H9ClF3NO4/c17-13-6-12(25-16(18,19)20)1-2-14(13)24-8-10-3-9(7-21)4-11(5-10)15(22)23/h1-6H,8H2,(H,22,23)
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| InChIKey |
VUFUGVWTASWJAR-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