General Information of the Compound
| Compound ID |
CP0510685
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| Compound Name |
1-[3-chloro-2-hydroxy-4-[[3-[4-(2H-tetrazol-5-yl)pyridin-2-yl]oxyphenyl]methoxy]phenyl]ethanone
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| Structure |
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| Formula |
C21H16ClN5O4
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| Molecular Weight |
437.843
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| Canonical SMILES |
CC(=O)c1ccc(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)c(Cl)c1O
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| InChI |
InChI=1S/C21H16ClN5O4/c1-12(28)16-5-6-17(19(22)20(16)29)30-11-13-3-2-4-15(9-13)31-18-10-14(7-8-23-18)21-24-26-27-25-21/h2-10,29H,11H2,1H3,(H,24,25,26,27)
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| InChIKey |
VDWCGWUJQRLILT-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