General Information of the Compound
| Compound ID |
CP0372397
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| Compound Name |
ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C15H20N4O3
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| Molecular Weight |
304.35
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| Canonical SMILES |
CCOC(=O)c1cnc2n(C)ncc2c1NC1CCOCC1
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| InChI |
InChI=1S/C15H20N4O3/c1-3-22-15(20)12-8-16-14-11(9-17-19(14)2)13(12)18-10-4-6-21-7-5-10/h8-10H,3-7H2,1-2H3,(H,16,18)
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| InChIKey |
YXUKZLNALVBOIT-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