General Information of the Compound
| Compound ID |
CP0921252
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| Compound Name |
7-[(2,6-Dimethylbenzyl)oxy]-4-[(2-methoxybenzyl)oxy]-2-naphthoic acid
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| Structure |
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| Formula |
C26H22O5
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| Molecular Weight |
414.457
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| Canonical SMILES |
COc1ccccc1COc1cc(C(=O)O)cc2cc(OCc3ccccc3)ccc12
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| InChI |
InChI=1S/C26H22O5/c1-29-24-10-6-5-9-19(24)17-31-25-15-21(26(27)28)13-20-14-22(11-12-23(20)25)30-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,28)
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| InChIKey |
OOMVZMBAXRQHKS-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