General Information of the Compound
| Compound ID |
CP0303580
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| Compound Name |
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C20H12F6N6O2
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| Molecular Weight |
482.344
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H12F6N6O2/c21-19(22,23)10-5-11(20(24,25)26)7-13(6-10)31-18(33)30-12-1-3-14(4-2-12)34-17-15-8-29-32-16(15)27-9-28-17/h1-9H,(H2,30,31,33)(H,27,28,29,32)
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| InChIKey |
DYHSLBIWHZGQQA-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