General Information of the Compound
| Compound ID |
CP0065740
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| Compound Name |
1-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C19H13F3N6O2
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| Molecular Weight |
414.347
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)Nc2cccc(Oc3ncnc4n[nH]cc34)c2)cc1
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| InChI |
InChI=1S/C19H13F3N6O2/c20-19(21,22)11-4-6-12(7-5-11)26-18(29)27-13-2-1-3-14(8-13)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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| InChIKey |
DUAXMDPWOSWFOO-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