General Information of the Compound
| Compound ID |
CP0298182
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| Compound Name |
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C19H12ClF3N6O2
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| Molecular Weight |
448.792
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c(Cl)c1
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| InChI |
InChI=1S/C19H12ClF3N6O2/c20-14-7-10(19(21,22)23)1-6-15(14)28-18(30)27-11-2-4-12(5-3-11)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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| InChIKey |
GTISFBOEAJPQNU-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