General Information of the Compound
| Compound ID |
CP0541251
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| Compound Name |
5-[2-[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-2-(difluoromethoxy)benzoic acid
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| Structure |
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| Formula |
C26H19BrF3NO4
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| Molecular Weight |
546.339
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2)n1-c1ccc(OC(F)F)c(c1)C(O)=O
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| InChI |
InChI=1S/C26H19BrF3NO4/c1-15-2-9-22(31(15)19-8-11-24(35-26(29)30)21(13-19)25(32)33)20-12-17(27)5-10-23(20)34-14-16-3-6-18(28)7-4-16/h2-13,26H,14H2,1H3,(H,32,33)
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| InChIKey |
VMTRZIJEDVEGEK-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