General Information of the Compound
| Compound ID |
CP0465968
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| Compound Name |
1-ethyl-N-(4-fluorophenyl)-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
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| Structure |
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| Formula |
C20H22FN5O2
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| Molecular Weight |
383.427
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| Canonical SMILES |
CCn1ncc2c(NC3CCOCC3)c(cnc12)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C20H22FN5O2/c1-2-26-19-16(12-23-26)18(24-15-7-9-28-10-8-15)17(11-22-19)20(27)25-14-5-3-13(21)4-6-14/h3-6,11-12,15H,2,7-10H2,1H3,(H,22,24)(H,25,27)
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| InChIKey |
BSOANZJESJRKQB-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