General Information of the Compound
| Compound ID |
CP0566159
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| Compound Name |
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
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| Structure |
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| Formula |
C21H20N4O3
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| Molecular Weight |
376.416
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| Canonical SMILES |
CN1C(=O)C2=C(N(CC(=O)Nc3ccc(cc3)-c3ccccn3)CCC2)C1=O
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| InChI |
InChI=1S/C21H20N4O3/c1-24-20(27)16-5-4-12-25(19(16)21(24)28)13-18(26)23-15-9-7-14(8-10-15)17-6-2-3-11-22-17/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)
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| InChIKey |
SWGBWIDXEWSWMQ-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