General Information of the Compound
| Compound ID |
CP0242454
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| Compound Name |
4-[3-(2,6-dichlorobenzoyl)indol-1-yl]-3-(trifluoromethyl)benzoic acid
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| Structure |
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| Formula |
C23H12Cl2F3NO3
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| Molecular Weight |
478.253
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| Canonical SMILES |
OC(=O)c1ccc(c(c1)C(F)(F)F)-n1cc(C(=O)c2c(Cl)cccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C23H12Cl2F3NO3/c24-16-5-3-6-17(25)20(16)21(30)14-11-29(18-7-2-1-4-13(14)18)19-9-8-12(22(31)32)10-15(19)23(26,27)28/h1-11H,(H,31,32)
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| InChIKey |
FGUXLOSYHFVBRF-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