General Information of the Compound
| Compound ID |
CP0851033
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| Compound Name |
3-(2-(5-bromo-2-isobutoxyphenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C22H22BrNO3
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| Molecular Weight |
428.326
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCC(C)C)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C22H22BrNO3/c1-14(2)13-27-21-10-8-17(23)12-19(21)20-9-7-15(3)24(20)18-6-4-5-16(11-18)22(25)26/h4-12,14H,13H2,1-3H3,(H,25,26)
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| InChIKey |
PLVUSCXXUJXDAH-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