General Information of the Compound
| Compound ID |
CP0522044
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| Compound Name |
4-(benzyloxy)-7-(2,6-dimethylbenzyloxy)-2-naphthoic acid
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| Structure |
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| Formula |
C27H24O4
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| Molecular Weight |
412.485
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| Canonical SMILES |
Cc1cccc(C)c1COc1ccc2c(OCc3ccccc3)cc(cc2c1)C(O)=O
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| InChI |
InChI=1S/C27H24O4/c1-18-7-6-8-19(2)25(18)17-30-23-11-12-24-21(14-23)13-22(27(28)29)15-26(24)31-16-20-9-4-3-5-10-20/h3-15H,16-17H2,1-2H3,(H,28,29)
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| InChIKey |
UBSJOEUGZCQLLT-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
Protein ID: PT05244, P2Y purinoceptor 14
Protein ID: PT00635, Purinergic receptor P2Y14