General Information of the Compound
| Compound ID |
CP0468562
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| Compound Name |
ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
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| Structure |
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| Formula |
C18H19FN4O2
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| Molecular Weight |
342.374
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| Canonical SMILES |
CCOC(=O)c1cnc2n(CC)ncc2c1NCc1ccc(F)cc1
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| InChI |
InChI=1S/C18H19FN4O2/c1-3-23-17-14(11-22-23)16(15(10-21-17)18(24)25-4-2)20-9-12-5-7-13(19)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
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| InChIKey |
MLRJDBYOJQSZGX-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