General Information of the Compound
| Compound ID |
CP0520986
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| Compound Name |
7-((2,6-dimethylphenoxy)methyl)-4-phenyl-2-naphthoic acid
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| Structure |
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| Formula |
C26H22O3
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| Molecular Weight |
382.459
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| Canonical SMILES |
Cc1cccc(C)c1OCc1ccc2c(cc(cc2c1)C(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C26H22O3/c1-17-7-6-8-18(2)25(17)29-16-19-11-12-23-21(13-19)14-22(26(27)28)15-24(23)20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,27,28)
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| InChIKey |
QANNOEJBUIBKSF-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