General Information of the Compound
| Compound ID |
CP0576074
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C25H30N8O4
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| Molecular Weight |
506.567
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n(CCN5CCOCC5)ncc34)cc2)no1
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| InChI |
InChI=1S/C25H30N8O4/c1-25(2,3)20-14-21(31-37-20)30-24(34)29-17-4-6-18(7-5-17)36-23-19-15-28-33(22(19)26-16-27-23)9-8-32-10-12-35-13-11-32/h4-7,14-16H,8-13H2,1-3H3,(H2,29,30,31,34)
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| InChIKey |
QPWRZMIDXXLFTK-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