General Information of the Compound
| Compound ID |
CP0482132
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| Compound Name |
N-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]-2-phenylbutanamide
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| Structure |
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| Formula |
C22H22N8O2
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| Molecular Weight |
430.472
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| Canonical SMILES |
CCC(C(=O)NC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1ccccc1
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| InChI |
InChI=1S/C22H22N8O2/c1-3-14(13-7-5-4-6-8-13)22(32)27-15-9-16(31)28-20-17(15)12(2)29-30(20)21-18-19(24-10-23-18)25-11-26-21/h4-8,10-11,14-15H,3,9H2,1-2H3,(H,27,32)(H,28,31)(H,23,24,25,26)
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| InChIKey |
JHVBTXMRMLZZNB-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