General Information of the Compound
| Compound ID |
CP0483392
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]urea
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| Structure |
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| Formula |
C20H21N7O3
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| Molecular Weight |
407.434
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| Canonical SMILES |
Cn1ncc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3)ncnc12
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| InChI |
InChI=1S/C20H21N7O3/c1-20(2,3)15-9-16(26-30-15)25-19(28)24-12-5-7-13(8-6-12)29-18-14-10-23-27(4)17(14)21-11-22-18/h5-11H,1-4H3,(H2,24,25,26,28)
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| InChIKey |
VNVZPFIYWMQAIO-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