General Information of the Compound
| Compound ID |
CP0542709
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| Compound Name |
1-[3-fluoro-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
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| Structure |
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| Formula |
C17H12F4N8O2
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| Molecular Weight |
436.329
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| Canonical SMILES |
Cn1nc(cc1NC(=O)Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C17H12F4N8O2/c1-29-13(5-12(28-29)17(19,20)21)26-16(30)25-8-2-3-11(10(18)4-8)31-15-9-6-24-27-14(9)22-7-23-15/h2-7H,1H3,(H2,25,26,30)(H,22,23,24,27)
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| InChIKey |
COWSMIMAJBATIH-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