General Information of the Compound
| Compound ID |
CP0873879
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| Compound Name |
4-Phenyl-7-[(2,3,6-trichlorobenzyl)oxy]-2-naphthoic acid
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| Structure |
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| Formula |
C24H15Cl3O3
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| Molecular Weight |
457.74
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| Canonical SMILES |
O=C(O)c1cc(-c2ccccc2)c2ccc(OCc3c(Cl)ccc(Cl)c3Cl)cc2c1
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| InChI |
InChI=1S/C24H15Cl3O3/c25-21-8-9-22(26)23(27)20(21)13-30-17-6-7-18-15(11-17)10-16(24(28)29)12-19(18)14-4-2-1-3-5-14/h1-12H,13H2,(H,28,29)
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| InChIKey |
XIONEQPHGCQMEU-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