General Information of the Compound
| Compound ID |
CP0963622
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| Compound Name |
2-cyano-5-((2,4-dichlorophenoxy)methyl)benzoic acid
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| Structure |
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| Formula |
C15H9Cl2NO3
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| Molecular Weight |
322.147
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| Canonical SMILES |
N#Cc1ccc(COc2ccc(Cl)cc2Cl)cc1C(=O)O
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| InChI |
InChI=1S/C15H9Cl2NO3/c16-11-3-4-14(13(17)6-11)21-8-9-1-2-10(7-18)12(5-9)15(19)20/h1-6H,8H2,(H,19,20)
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| InChIKey |
CUZSWBQUQCAFSX-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