General Information of the Compound
| Compound ID |
CP0119167
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| Compound Name |
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
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| Structure |
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| Formula |
C21H20N6O3
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| Molecular Weight |
404.43
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| Canonical SMILES |
O=C(CN1CCCC2=C1C(=O)N(C1CC1)C2=O)Nc1ccc(nn1)-c1cccnc1
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| InChI |
InChI=1S/C21H20N6O3/c28-18(23-17-8-7-16(24-25-17)13-3-1-9-22-11-13)12-26-10-2-4-15-19(26)21(30)27(20(15)29)14-5-6-14/h1,3,7-9,11,14H,2,4-6,10,12H2,(H,23,25,28)
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| InChIKey |
LJDCIVDNJQNMRY-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