General Information of the Compound
| Compound ID |
CP0544963
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| Compound Name |
N-[3-[5-(2-acetamidopyridin-4-yl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]-6-fluoro-3-hydroxy-2-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
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| Structure |
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| Formula |
C33H27FN6O4S
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| Molecular Weight |
622.682
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| Canonical SMILES |
CSc1nc(c([nH]1)-c1ccnc(NC(C)=O)c1)-c1cccc(NC(=O)c2c(F)ccc(O)c2CN2Cc3ccccc3C2=O)c1
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| InChI |
InChI=1S/C33H27FN6O4S/c1-18(41)36-27-15-20(12-13-35-27)30-29(38-33(39-30)45-2)19-7-5-8-22(14-19)37-31(43)28-24(26(42)11-10-25(28)34)17-40-16-21-6-3-4-9-23(21)32(40)44/h3-15,42H,16-17H2,1-2H3,(H,37,43)(H,38,39)(H,35,36,41)
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| InChIKey |
KSPSPBKQQQAFJU-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