General Information of the Compound
| Compound ID |
CP0456737
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| Compound Name |
3-[acetyl(methyl)amino]-5-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]benzoic acid
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| Structure |
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| Formula |
C28H23BrF2N2O4
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| Molecular Weight |
569.402
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| Canonical SMILES |
CN(C(C)=O)c1cc(cc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F)C(O)=O
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| InChI |
InChI=1S/C28H23BrF2N2O4/c1-16-4-8-26(33(16)23-11-19(28(35)36)10-22(14-23)32(3)17(2)34)24-12-20(29)6-9-27(24)37-15-18-5-7-21(30)13-25(18)31/h4-14H,15H2,1-3H3,(H,35,36)
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| InChIKey |
QZJATAZMNHADHJ-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