General Information of the Compound
| Compound ID |
CP0545410
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| Compound Name |
4-[3-(2,6-dichlorophenoxy)-4-methylindazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C21H14Cl2N2O3
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| Molecular Weight |
413.26
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| Canonical SMILES |
Cc1cccc2n(nc(Oc3c(Cl)cccc3Cl)c12)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H14Cl2N2O3/c1-12-4-2-7-17-18(12)20(28-19-15(22)5-3-6-16(19)23)24-25(17)14-10-8-13(9-11-14)21(26)27/h2-11H,1H3,(H,26,27)
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| InChIKey |
LTUFVSKPIXPHQV-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