General Information of the Compound
| Compound ID |
CP0522232
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| Compound Name |
3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-N-phenylbenzamide
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| Structure |
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| Formula |
C31H23BrF2N2O2
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| Molecular Weight |
573.437
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1cccc(c1)C(=O)Nc1ccccc1
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| InChI |
InChI=1S/C31H23BrF2N2O2/c1-20-10-14-29(27-17-23(32)12-15-30(27)38-19-22-11-13-24(33)18-28(22)34)36(20)26-9-5-6-21(16-26)31(37)35-25-7-3-2-4-8-25/h2-18H,19H2,1H3,(H,35,37)
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| InChIKey |
WKMSYVVMAYCQBJ-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