General Information of the Compound
| Compound ID |
CP0303087
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| Compound Name |
4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]-7-fluoro-1H-indol-1-yl]benzoic acid (Compound 1)
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| Structure |
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| Formula |
C23H13ClF3NO3
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| Molecular Weight |
443.808
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| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2ccccc12
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| InChI |
InChI=1S/C23H13ClF3NO3/c24-18-6-3-5-17(23(25,26)27)20(18)21(29)16-12-28(19-7-2-1-4-15(16)19)14-10-8-13(9-11-14)22(30)31/h1-12H,(H,30,31)
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| InChIKey |
VSKGLHFFVHEIJX-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