General Information of the Compound
| Compound ID |
CP0447466
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| Compound Name |
[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl] 4-fluorobenzoate
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| Structure |
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| Formula |
C19H14FN7O3
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| Molecular Weight |
407.365
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(OC(=O)c3ccc(F)cc3)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C19H14FN7O3/c1-9-14-12(30-19(29)10-2-4-11(20)5-3-10)6-13(28)25-17(14)27(26-9)18-15-16(22-7-21-15)23-8-24-18/h2-5,7-8,12H,6H2,1H3,(H,25,28)(H,21,22,23,24)
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| InChIKey |
WJRJPUSRARXKMP-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