General Information of the Compound
| Compound ID |
CP0387411
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| Compound Name |
US10028961, Compound 413
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| Structure |
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| Formula |
C17H11F7N6S
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| Molecular Weight |
464.37
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| Canonical SMILES |
Fc1cc(F)cc(Nc2nc(NC3CC(F)(F)C3)nc(n2)-c2nc(cs2)C(F)(F)F)c1
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| InChI |
InChI=1S/C17H11F7N6S/c18-7-1-8(19)3-9(2-7)25-14-28-12(13-27-11(6-31-13)17(22,23)24)29-15(30-14)26-10-4-16(20,21)5-10/h1-3,6,10H,4-5H2,(H2,25,26,28,29,30)
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| InChIKey |
WGWIGBTYVJCEKX-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