General Information of the Compound
| Compound ID |
CP0575050
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| Compound Name |
1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[3-fluoro-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C20H21FN8O2
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| Molecular Weight |
424.44
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| Canonical SMILES |
Cn1nc(cc1NC(=O)Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1)C(C)(C)C
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| InChI |
InChI=1S/C20H21FN8O2/c1-20(2,3)15-8-16(29(4)28-15)26-19(30)25-11-5-6-14(13(21)7-11)31-18-12-9-24-27-17(12)22-10-23-18/h5-10H,1-4H3,(H2,25,26,30)(H,22,23,24,27)
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| InChIKey |
PFLVNYYIZYFWMD-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