General Information of the Compound
| Compound ID |
CP0482130
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| Compound Name |
4-[(2,4-dichlorophenyl)methoxy]-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C19H15Cl2N7O2
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| Molecular Weight |
444.282
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(OCc3ccc(Cl)cc3Cl)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C19H15Cl2N7O2/c1-9-15-13(30-6-10-2-3-11(20)4-12(10)21)5-14(29)26-18(15)28(27-9)19-16-17(23-7-22-16)24-8-25-19/h2-4,7-8,13H,5-6H2,1H3,(H,26,29)(H,22,23,24,25)
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| InChIKey |
GTFVCAGVTWPZTB-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