General Information of the Compound
| Compound ID |
CP0483061
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| Compound Name |
US9409915, 10
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| Structure |
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| Formula |
C21H16F6N4O
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| Molecular Weight |
454.374
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| Canonical SMILES |
CC(C)(C)c1cc(on1)-c1nc2nc(cc(c2[nH]1)C(F)(F)F)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C21H16F6N4O/c1-19(2,3)15-9-14(32-31-15)17-29-16-12(21(25,26)27)8-13(28-18(16)30-17)10-6-4-5-7-11(10)20(22,23)24/h4-9H,1-3H3,(H,28,29,30)
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| InChIKey |
QQIUNFSEPUFXIY-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