General Information of the Compound
| Compound ID |
CP0191647
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| Compound Name |
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)pyrrolo[3,2-b]pyridine-1-carboxamide
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| Structure |
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| Formula |
C21H21N7O3
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| Molecular Weight |
419.445
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)n2ccc3nc(Oc4ncnc5CNCc45)ccc23)no1
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| InChI |
InChI=1S/C21H21N7O3/c1-21(2,3)16-8-17(27-31-16)26-20(29)28-7-6-13-15(28)4-5-18(25-13)30-19-12-9-22-10-14(12)23-11-24-19/h4-8,11,22H,9-10H2,1-3H3,(H,26,27,29)
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| InChIKey |
OGVPTEYDEAYDGG-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