General Information of the Compound
| Compound ID |
CP0571529
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| Compound Name |
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methoxyphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
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| Structure |
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| Formula |
C23H18F2N4O4
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| Molecular Weight |
452.417
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| Canonical SMILES |
COc1ccc(cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1)C1=NOC(C)(C)C1=O
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| InChI |
InChI=1S/C23H18F2N4O4/c1-23(2)21(30)20(29-33-23)12-7-8-17(32-3)13(9-12)16-10-27-18(11-26-16)28-22(31)19-14(24)5-4-6-15(19)25/h4-11H,1-3H3,(H,27,28,31)
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| InChIKey |
XTRBTNQVRQZIGY-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