General Information of the Compound
| Compound ID |
CP0226449
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| Compound Name |
1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
CC(C)n1ncc2cc(NC(=O)c3ccc4cc5C(=O)NCCCn5c4c3)cnc12
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| InChI |
InChI=1S/C22H22N6O2/c1-13(2)28-20-16(11-25-28)8-17(12-24-20)26-21(29)15-5-4-14-9-19-22(30)23-6-3-7-27(19)18(14)10-15/h4-5,8-13H,3,6-7H2,1-2H3,(H,23,30)(H,26,29)
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| InChIKey |
CHFKZEPYDHGBQK-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