General Information of the Compound
| Compound ID |
CP0471470
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| Compound Name |
US10028961, Compound 316
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| Structure |
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| Formula |
C23H20F5N7
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| Molecular Weight |
489.452
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| Canonical SMILES |
Cn1c(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)cc2ccccc12
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| InChI |
InChI=1S/C23H20F5N7/c1-35-16-7-3-2-5-13(16)11-18(35)31-21-33-19(15-6-4-8-17(30-15)23(26,27)28)32-20(34-21)29-14-9-10-22(24,25)12-14/h2-8,11,14H,9-10,12H2,1H3,(H2,29,31,32,33,34)
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| InChIKey |
LELUQJXOLYUADR-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