General Information of the Compound
| Compound ID |
CP0438203
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| Compound Name |
7-(2,6-dimethylbenzyloxy)-4-(thiophen-3-yl)-2-naphthoic acid
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| Structure |
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| Formula |
C24H20O3S
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| Molecular Weight |
388.488
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| Canonical SMILES |
Cc1cccc(C)c1COc1ccc2c(cc(cc2c1)C(O)=O)-c1ccsc1
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| InChI |
InChI=1S/C24H20O3S/c1-15-4-3-5-16(2)23(15)13-27-20-6-7-21-18(11-20)10-19(24(25)26)12-22(21)17-8-9-28-14-17/h3-12,14H,13H2,1-2H3,(H,25,26)
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| InChIKey |
VQPZAISPIXNHAJ-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