General Information of the Compound
| Compound ID |
CP0529490
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| Compound Name |
US9409915, 29
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| Structure |
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| Formula |
C20H17F3N4O2
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| Molecular Weight |
402.376
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| Canonical SMILES |
CC(C)(C)c1cc(on1)-c1nc2nc(ccc2[nH]1)-c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C20H17F3N4O2/c1-19(2,3)16-10-15(29-27-16)18-25-13-9-8-12(24-17(13)26-18)11-6-4-5-7-14(11)28-20(21,22)23/h4-10H,1-3H3,(H,24,25,26)
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| InChIKey |
FNTDJPRXLUFNIM-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