General Information of the Compound
| Compound ID |
CP0483391
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[1-[3-(dimethylamino)propyl]pyrazolo[3,4-d]pyrimidin-4-yl]oxyphenyl]urea
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| Structure |
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| Formula |
C24H30N8O3
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| Molecular Weight |
478.557
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| Canonical SMILES |
CN(C)CCCn1ncc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3)ncnc12
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| InChI |
InChI=1S/C24H30N8O3/c1-24(2,3)19-13-20(30-35-19)29-23(33)28-16-7-9-17(10-8-16)34-22-18-14-27-32(12-6-11-31(4)5)21(18)25-15-26-22/h7-10,13-15H,6,11-12H2,1-5H3,(H2,28,29,30,33)
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| InChIKey |
PYDAPFIEFHGGBX-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