General Information of the Compound
| Compound ID |
CP0873838
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| Compound Name |
4-(1,3-Benzodioxol-5-yl)-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(-c3ccc4c(c3)OCO4)cc(C(=O)O)cc2c1
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| InChI |
InChI=1S/C27H22O5/c1-16-4-3-5-17(2)24(16)14-30-21-7-8-22-19(11-21)10-20(27(28)29)12-23(22)18-6-9-25-26(13-18)32-15-31-25/h3-13H,14-15H2,1-2H3,(H,28,29)
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| InChIKey |
JOGSWTGSSAHJRM-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