General Information of the Compound
| Compound ID |
CP0451777
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| Compound Name |
4-[3-(2,6-dichlorophenoxy)-7-fluoroindazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C20H11Cl2FN2O3
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| Molecular Weight |
417.223
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cccc(F)c12
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| InChI |
InChI=1S/C20H11Cl2FN2O3/c21-14-4-2-5-15(22)18(14)28-19-13-3-1-6-16(23)17(13)25(24-19)12-9-7-11(8-10-12)20(26)27/h1-10H,(H,26,27)
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| InChIKey |
MHXMSPAFEGEWMP-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01806, Retinoic acid receptor gamma