General Information of the Compound
| Compound ID |
CP0439777
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| Compound Name |
1-ethyl-N-(2-ethylbutyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C20H31N5O2
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| Molecular Weight |
373.501
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| Canonical SMILES |
CCC(CC)CNC(=O)c1cnc2n(CC)ncc2c1NC1CCOCC1
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| InChI |
InChI=1S/C20H31N5O2/c1-4-14(5-2)11-22-20(26)17-12-21-19-16(13-23-25(19)6-3)18(17)24-15-7-9-27-10-8-15/h12-15H,4-11H2,1-3H3,(H,21,24)(H,22,26)
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| InChIKey |
YJCYQAANLQCHJC-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