General Information of the Compound
| Compound ID |
CP0174063
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| Compound Name |
2-(3-Oxo-1,3-dihydroisobenzofuran-5-ylamino)-6-(3-acetamidophenyl)pyrazine
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| Structure |
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| Formula |
C20H16N4O3
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| Molecular Weight |
360.373
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1cncc(Nc2ccc3COC(=O)c3c2)n1
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| InChI |
InChI=1S/C20H16N4O3/c1-12(25)22-15-4-2-3-13(7-15)18-9-21-10-19(24-18)23-16-6-5-14-11-27-20(26)17(14)8-16/h2-10H,11H2,1H3,(H,22,25)(H,23,24)
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| InChIKey |
BOJDCYLXQYKJPO-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