General Information of the Compound
| Compound ID |
CP0452052
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| Compound Name |
4-[3-[2-chloro-6-(trifluoromethyl)phenoxy]-5-(dimethylcarbamoyl)indazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H17ClF3N3O4
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| Molecular Weight |
503.864
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| Canonical SMILES |
CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H17ClF3N3O4/c1-30(2)22(32)14-8-11-19-16(12-14)21(29-31(19)15-9-6-13(7-10-15)23(33)34)35-20-17(24(26,27)28)4-3-5-18(20)25/h3-12H,1-2H3,(H,33,34)
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| InChIKey |
PRFOAGMHUSKCKE-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: PT02658, Nuclear receptor ROR-alpha
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01887, Oxysterols receptor LXR-beta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01806, Retinoic acid receptor gamma
Protein ID: PT02378, Vitamin D3 receptor