General Information of the Compound
| Compound ID |
CP0851031
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| Compound Name |
3-(2-(5-bromo-2-((3,5-dimethylisoxazol-4-yl)methoxy)phenyl)-5-methyl-1H-pyrrol-1-yl)benzoic acid
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| Structure |
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| Formula |
C24H21BrN2O4
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| Molecular Weight |
481.346
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| Canonical SMILES |
Cc1noc(C)c1COc1ccc(Br)cc1-c1ccc(C)n1-c1cccc(C(=O)O)c1
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| InChI |
InChI=1S/C24H21BrN2O4/c1-14-7-9-22(27(14)19-6-4-5-17(11-19)24(28)29)20-12-18(25)8-10-23(20)30-13-21-15(2)26-31-16(21)3/h4-12H,13H2,1-3H3,(H,28,29)
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| InChIKey |
XMPFSYWXMHTLKA-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