General Information of the Compound
| Compound ID |
CP0303586
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| Compound Name |
1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C19H14F3N7O
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| Molecular Weight |
413.363
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)Nc2ccc(Nc3ncnc4n[nH]cc34)cc2)cc1
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| InChI |
InChI=1S/C19H14F3N7O/c20-19(21,22)11-1-3-13(4-2-11)27-18(30)28-14-7-5-12(6-8-14)26-16-15-9-25-29-17(15)24-10-23-16/h1-10H,(H2,27,28,30)(H2,23,24,25,26,29)
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| InChIKey |
NCYWRKUXDWOIBL-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