General Information of the Compound
| Compound ID |
CP0855112
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| Compound Name |
3-(2-(2-(4-methoxybenzyloxy)-5-bromophenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C26H22BrNO4
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| Molecular Weight |
492.369
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| Canonical SMILES |
COc1ccc(COc2ccc(Br)cc2-c2ccc(C)n2-c2cccc(C(=O)O)c2)cc1
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| InChI |
InChI=1S/C26H22BrNO4/c1-17-6-12-24(28(17)21-5-3-4-19(14-21)26(29)30)23-15-20(27)9-13-25(23)32-16-18-7-10-22(31-2)11-8-18/h3-15H,16H2,1-2H3,(H,29,30)
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| InChIKey |
QXVKKESHCKXFBQ-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