General Information of the Compound
| Compound ID |
CP0189869
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| Compound Name |
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoroindol-1-yl]-3-fluorobenzoic acid
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| Structure |
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| Formula |
C23H11ClF5NO3
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| Molecular Weight |
479.788
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| Canonical SMILES |
OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2c(F)cccc12
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| InChI |
InChI=1S/C23H11ClF5NO3/c24-14-4-1-3-13(23(27,28)29)20(14)21(31)12-10-30(18-6-2-5-15(25)19(12)18)17-8-7-11(22(32)33)9-16(17)26/h1-10H,(H,32,33)
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| InChIKey |
RXFPAAYTOMUIII-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