General Information of the Compound
| Compound ID |
CP0181070
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| Compound Name |
3-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C17H15FN6O
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| Molecular Weight |
338.346
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| Canonical SMILES |
CC(C)n1nc(-c2cc(on2)-c2ccc(F)cc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C17H15FN6O/c1-9(2)24-17-14(16(19)20-8-21-17)15(22-24)12-7-13(25-23-12)10-3-5-11(18)6-4-10/h3-9H,1-2H3,(H2,19,20,21)
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| InChIKey |
PYQBLKGHLKNKLQ-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: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 > 10000 nM
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TI
LI
LO
TS
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