General Information of the Compound
| Compound ID |
CP0391038
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| Compound Name |
4-[3-(2-chloro-6-methylbenzoyl)indol-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H16ClNO3
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| Molecular Weight |
389.838
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| Canonical SMILES |
Cc1cccc(Cl)c1C(=O)c1cn(-c2ccc(cc2)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C23H16ClNO3/c1-14-5-4-7-19(24)21(14)22(26)18-13-25(20-8-3-2-6-17(18)20)16-11-9-15(10-12-16)23(27)28/h2-13H,1H3,(H,27,28)
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| InChIKey |
FEUCSULPDIVIMX-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