General Information of the Compound
| Compound ID |
CP0466979
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| Compound Name |
1-[2-hydroxy-4-[[3-[4-(2H-tetrazol-5-yl)pyridin-2-yl]oxyphenyl]methoxy]-3-(trifluoromethyl)phenyl]ethanone
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| Structure |
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| Formula |
C22H16F3N5O4
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| Molecular Weight |
471.395
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| Canonical SMILES |
CC(=O)c1ccc(OCc2cccc(Oc3cc(ccn3)-c3nn[nH]n3)c2)c(c1O)C(F)(F)F
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| InChI |
InChI=1S/C22H16F3N5O4/c1-12(31)16-5-6-17(19(20(16)32)22(23,24)25)33-11-13-3-2-4-15(9-13)34-18-10-14(7-8-26-18)21-27-29-30-28-21/h2-10,32H,11H2,1H3,(H,27,28,29,30)
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| InChIKey |
NLXMKEVCFSSIPW-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