General Information of the Compound
| Compound ID |
CP0538701
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| Compound Name |
4-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]-N,N-diethylbenzamide
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| Structure |
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| Formula |
C29H27BrF2N2O2
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| Molecular Weight |
553.447
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)-n1c(C)ccc1-c1cc(Br)ccc1OCc1ccc(F)cc1F
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| InChI |
InChI=1S/C29H27BrF2N2O2/c1-4-33(5-2)29(35)20-8-12-24(13-9-20)34-19(3)6-14-27(34)25-16-22(30)10-15-28(25)36-18-21-7-11-23(31)17-26(21)32/h6-17H,4-5,18H2,1-3H3
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| InChIKey |
PFVRISIEEGJZEO-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