General Information of the Compound
| Compound ID |
CP0862530
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| Compound Name |
3-{2-[5-Bromo-2-(2-methyl-benzyloxy)-phenyl]-5-methyl-pyrrol-1-yl}-benzoic acid
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| Structure |
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| Formula |
C26H22BrNO3
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| Molecular Weight |
476.37
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| Canonical SMILES |
Cc1ccccc1COc1ccc(Br)cc1-c1ccc(C)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C26H22BrNO3/c1-17-6-3-4-7-20(17)16-31-25-13-11-21(27)15-23(25)24-12-10-18(2)28(24)22-9-5-8-19(14-22)26(29)30/h3-15H,16H2,1-2H3,(H,29,30)
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| InChIKey |
VDMWIBFYFUKLAT-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