General Information of the Compound
| Compound ID |
CP0542713
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| Compound Name |
1-(2-methyl-5-propan-2-ylpyrazol-3-yl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C19H20N8O2
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| Molecular Weight |
392.423
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| Canonical SMILES |
CC(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(C)n1
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| InChI |
InChI=1S/C19H20N8O2/c1-11(2)15-8-16(27(3)26-15)24-19(28)23-12-4-6-13(7-5-12)29-18-14-9-22-25-17(14)20-10-21-18/h4-11H,1-3H3,(H2,23,24,28)(H,20,21,22,25)
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| InChIKey |
NITYEXMLUCMTHS-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