General Information of the Compound
| Compound ID |
CP0538705
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| Compound Name |
3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-N-methylsulfonylbenzamide
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| Structure |
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| Formula |
C26H21BrF2N2O4S
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| Molecular Weight |
575.431
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(c1)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C26H21BrF2N2O4S/c1-16-6-10-24(31(16)21-5-3-4-17(12-21)26(32)30-36(2,33)34)22-13-19(27)8-11-25(22)35-15-18-7-9-20(28)14-23(18)29/h3-14H,15H2,1-2H3,(H,30,32)
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| InChIKey |
CFMJETAXNILTNQ-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