General Information of the Compound
| Compound ID |
CP0420725
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| Compound Name |
1-[4-(4-aminofuro[2,3-d]pyrimidin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
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| Structure |
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| Formula |
C20H20N6O3
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| Molecular Weight |
392.419
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)no1
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| InChI |
InChI=1S/C20H20N6O3/c1-20(2,3)14-8-15(26-29-14)25-19(27)24-12-6-4-11(5-7-12)13-9-28-18-16(13)17(21)22-10-23-18/h4-10H,1-3H3,(H2,21,22,23)(H2,24,25,26,27)
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| InChIKey |
SCAQPCRSYNOLDB-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
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1