General Information of the Compound
| Compound ID |
CP0537732
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-methyl-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]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 |
Cc1cc(NC(=O)Nc2cc(on2)C(C)(C)C)ccc1Oc1ncnc2[nH]ncc12
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| InChI |
InChI=1S/C20H21N7O3/c1-11-7-12(24-19(28)25-16-8-15(30-27-16)20(2,3)4)5-6-14(11)29-18-13-9-23-26-17(13)21-10-22-18/h5-10H,1-4H3,(H,21,22,23,26)(H2,24,25,27,28)
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| InChIKey |
AYAHXOMVALZRBU-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