General Information of the Compound
| Compound ID |
CP0966922
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| Compound Name |
3-cyano-5-((2,3,4-trichlorophenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C15H8Cl3NO3
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| Molecular Weight |
356.592
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| Canonical SMILES |
N#Cc1cc(COc2ccc(Cl)c(Cl)c2Cl)cc(C(=O)O)c1
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| InChI |
InChI=1S/C15H8Cl3NO3/c16-11-1-2-12(14(18)13(11)17)22-7-9-3-8(6-19)4-10(5-9)15(20)21/h1-5H,7H2,(H,20,21)
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| InChIKey |
QIJUOWHYTJPTBB-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