General Information of the Compound
| Compound ID |
CP0526682
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| Compound Name |
5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-methylbenzoic acid
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| Structure |
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| Formula |
C26H20BrF2NO3
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| Molecular Weight |
512.35
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(C)c(c1)C(O)=O
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| InChI |
InChI=1S/C26H20BrF2NO3/c1-15-3-8-20(13-21(15)26(31)32)30-16(2)4-9-24(30)22-11-18(27)6-10-25(22)33-14-17-5-7-19(28)12-23(17)29/h3-13H,14H2,1-2H3,(H,31,32)
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| InChIKey |
DQIWTZOJPCHLRD-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