General Information of the Compound
| Compound ID |
CP0469214
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| Compound Name |
CHEMBL3102879
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| Formula |
C13H10F2N4OS
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| Molecular Weight |
308.313
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| Canonical SMILES |
Cc1nc2nc(CSc3cccc(F)c3F)cc(O)n2n1
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| InChI |
InChI=1S/C13H10F2N4OS/c1-7-16-13-17-8(5-11(20)19(13)18-7)6-21-10-4-2-3-9(14)12(10)15/h2-5,20H,6H2,1H3
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| InChIKey |
WGSHIDNEHPLTBP-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