General Information of the Compound
| Compound ID |
CP0524351
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| Compound Name |
5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methoxybenzoic acid
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| Structure |
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| Formula |
C26H20BrF2NO4
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| Molecular Weight |
528.349
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| Canonical SMILES |
COc1ccc(cc1C(O)=O)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F
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| InChI |
InChI=1S/C26H20BrF2NO4/c1-15-3-8-23(30(15)19-7-10-24(33-2)21(13-19)26(31)32)20-11-17(27)5-9-25(20)34-14-16-4-6-18(28)12-22(16)29/h3-13H,14H2,1-2H3,(H,31,32)
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| InChIKey |
MYIPXSGTPKNZDQ-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