General Information of the Compound
| Compound ID |
CP0439448
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| Compound Name |
3-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C27H23BrF2N2O2
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| Molecular Weight |
525.393
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| Canonical SMILES |
CN(C)C(=O)c1cccc(c1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F
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| InChI |
InChI=1S/C27H23BrF2N2O2/c1-17-7-11-25(32(17)22-6-4-5-18(13-22)27(33)31(2)3)23-14-20(28)9-12-26(23)34-16-19-8-10-21(29)15-24(19)30/h4-15H,16H2,1-3H3
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| InChIKey |
VTLHUURIRYDQFI-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