General Information of the Compound
| Compound ID |
CP0545409
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| Compound Name |
4-[3-(2,6-dichlorophenyl)sulfonylindazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C20H12Cl2N2O4S
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| Molecular Weight |
447.299
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(c2ccccc12)S(=O)(=O)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C20H12Cl2N2O4S/c21-15-5-3-6-16(22)18(15)29(27,28)19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
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| InChIKey |
WUCPWMXDALTGFF-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