General Information of the Compound
| Compound ID |
CP0256472
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| Compound Name |
1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C20H15F3N6O2
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| Molecular Weight |
428.374
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| Canonical SMILES |
Cn1ncc2c(Oc3ccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)ncnc12
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| InChI |
InChI=1S/C20H15F3N6O2/c1-29-17-16(10-26-29)18(25-11-24-17)31-15-8-6-14(7-9-15)28-19(30)27-13-4-2-12(3-5-13)20(21,22)23/h2-11H,1H3,(H2,27,28,30)
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| InChIKey |
JIWVARRTFYLYOQ-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