General Information of the Compound
| Compound ID |
CP0894080
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| Compound Name |
4-(4-Acetylphenyl)-7-[(2,6-dimethylbenzyl)oxy]-2-naphthoic acid
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| Structure |
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| Formula |
C28H24O4
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| Molecular Weight |
424.496
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| Canonical SMILES |
CC(=O)c1ccc(-c2cc(C(=O)O)cc3cc(OCc4c(C)cccc4C)ccc23)cc1
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| InChI |
InChI=1S/C28H24O4/c1-17-5-4-6-18(2)27(17)16-32-24-11-12-25-22(14-24)13-23(28(30)31)15-26(25)21-9-7-20(8-10-21)19(3)29/h4-15H,16H2,1-3H3,(H,30,31)
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| InChIKey |
UIXKFBWGTOEIRG-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