General Information of the Compound
| Compound ID |
CP0538698
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| Compound Name |
3-[3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]-5-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C27H20BrF2N3O2
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| Molecular Weight |
536.376
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| Canonical SMILES |
Cc1nc(no1)-c1cccc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F
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| InChI |
InChI=1S/C27H20BrF2N3O2/c1-16-6-10-25(33(16)22-5-3-4-18(12-22)27-31-17(2)35-32-27)23-13-20(28)8-11-26(23)34-15-19-7-9-21(29)14-24(19)30/h3-14H,15H2,1-2H3
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| InChIKey |
OQSDBYFLHHECIP-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