General Information of the Compound
| Compound ID |
CP0439444
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| Compound Name |
5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]isoindole-1,3-dione
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| Structure |
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| Formula |
C26H17BrF2N2O3
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| Molecular Weight |
523.333
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc2C(=O)NC(=O)c2c1
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| InChI |
InChI=1S/C26H17BrF2N2O3/c1-14-2-8-23(31(14)18-6-7-19-20(12-18)26(33)30-25(19)32)21-10-16(27)4-9-24(21)34-13-15-3-5-17(28)11-22(15)29/h2-12H,13H2,1H3,(H,30,32,33)
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| InChIKey |
HLKOTEDELHPERH-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