General Information of the Compound
| Compound ID |
CP0436388
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| Compound Name |
5-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-2-(difluoromethoxy)benzoic 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 |
Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1ccc(OC(F)F)c(c1)C(O)=O
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| InChI |
InChI=1S/C26H20BrF2NO4/c1-16-7-10-22(30(16)19-9-12-24(34-26(28)29)21(14-19)25(31)32)20-13-18(27)8-11-23(20)33-15-17-5-3-2-4-6-17/h2-14,26H,15H2,1H3,(H,31,32)
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| InChIKey |
CJXLAXOMWIDFIZ-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