General Information of the Compound
| Compound ID |
CP0385839
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| Compound Name |
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
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| Structure |
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| Formula |
C22H12ClF3N2O3
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| Molecular Weight |
444.796
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12
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| InChI |
InChI=1S/C22H12ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-11H,(H,30,31)
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| InChIKey |
RUEKRLSPXAQNCP-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: PT01286, Bile acid receptor
Protein ID: PT02658, Nuclear receptor ROR-alpha
Protein ID: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta