General Information of the Compound
| Compound ID |
CP0852689
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| Compound Name |
4-(4-Carboxyphenyl)-7-[(2,6-dimethylbenzyl)oxy]-2-naphthoic acid
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| Structure |
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| Formula |
C27H22O5
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| Molecular Weight |
426.468
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| Canonical SMILES |
Cc1cccc(C)c1COc1ccc2c(-c3ccc(C(=O)O)cc3)cc(C(=O)O)cc2c1
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| InChI |
InChI=1S/C27H22O5/c1-16-4-3-5-17(2)25(16)15-32-22-10-11-23-20(13-22)12-21(27(30)31)14-24(23)18-6-8-19(9-7-18)26(28)29/h3-14H,15H2,1-2H3,(H,28,29)(H,30,31)
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| InChIKey |
HTNBWCLUEGGNQA-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