General Information of the Compound
| Compound ID |
CP0468331
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| Compound Name |
1-[2-hydroxy-3-methyl-4-[[4-[3-(2H-tetrazol-5-yl)phenoxy]phenyl]methoxy]phenyl]ethanone
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| Structure |
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| Formula |
C23H20N4O4
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| Molecular Weight |
416.437
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| Canonical SMILES |
CC(=O)c1ccc(OCc2ccc(Oc3cccc(c3)-c3nn[nH]n3)cc2)c(C)c1O
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| InChI |
InChI=1S/C23H20N4O4/c1-14-21(11-10-20(15(2)28)22(14)29)30-13-16-6-8-18(9-7-16)31-19-5-3-4-17(12-19)23-24-26-27-25-23/h3-12,29H,13H2,1-2H3,(H,24,25,26,27)
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| InChIKey |
QIADWIHDXWIEST-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT01748, Metabotropic glutamate receptor 2