General Information of the Compound
| Compound ID |
CP0539267
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| Compound Name |
4-[(2-chlorophenyl)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 |
C19H16ClN7O2
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| Molecular Weight |
409.837
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(OCc3ccccc3Cl)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C19H16ClN7O2/c1-10-15-13(29-7-11-4-2-3-5-12(11)20)6-14(28)25-18(15)27(26-10)19-16-17(22-8-21-16)23-9-24-19/h2-5,8-9,13H,6-7H2,1H3,(H,25,28)(H,21,22,23,24)
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| InChIKey |
RKZGMZSGZNYAPI-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