General Information of the Compound
| Compound ID |
CP0508491
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| Compound Name |
4-[3-(2,6-dichlorophenoxy)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid
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| Structure |
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| Formula |
C19H11Cl2N3O3
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| Molecular Weight |
400.221
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(Oc2c(Cl)cccc2Cl)c2cccnc12
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| InChI |
InChI=1S/C19H11Cl2N3O3/c20-14-4-1-5-15(21)16(14)27-18-13-3-2-10-22-17(13)24(23-18)12-8-6-11(7-9-12)19(25)26/h1-10H,(H,25,26)
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| InChIKey |
OCKJNZRTYUAEGA-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