General Information of the Compound
| Compound ID |
CP0468728
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]urea
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| Structure |
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| Formula |
C22H25N7O3
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| Molecular Weight |
435.488
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| Canonical SMILES |
CC(C)n1ncc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3)ncnc12
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| InChI |
InChI=1S/C22H25N7O3/c1-13(2)29-19-16(11-25-29)20(24-12-23-19)31-15-8-6-14(7-9-15)26-21(30)27-18-10-17(32-28-18)22(3,4)5/h6-13H,1-5H3,(H2,26,27,28,30)
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| InChIKey |
CMSKUEAPWBQFNS-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