General Information of the Compound
| Compound ID |
CP0439618
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| Compound Name |
3-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-4-fluorobenzoic acid
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| Structure |
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| Formula |
C25H18BrF2NO3
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| Molecular Weight |
498.323
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1cc(ccc1F)C(O)=O
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| InChI |
InChI=1S/C25H18BrF2NO3/c1-15-2-10-22(29(15)23-12-17(25(30)31)5-9-21(23)28)20-13-18(26)6-11-24(20)32-14-16-3-7-19(27)8-4-16/h2-13H,14H2,1H3,(H,30,31)
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| InChIKey |
XJYTWZYCMOBUAX-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