General Information of the Compound
| Compound ID |
CP0578993
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| Compound Name |
1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]-3-[5-(trifluoromethyl)-1,2-oxazol-3-yl]urea
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| Structure |
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| Formula |
C16H10F3N7O3
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| Molecular Weight |
405.296
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)no1
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| InChI |
InChI=1S/C16H10F3N7O3/c17-16(18,19)11-5-12(26-29-11)24-15(27)23-8-1-3-9(4-2-8)28-14-10-6-22-25-13(10)20-7-21-14/h1-7H,(H,20,21,22,25)(H2,23,24,26,27)
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| InChIKey |
UGVCKGNYUMOIGC-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