General Information of the Compound
| Compound ID |
CP0483940
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| Compound Name |
US9192603, 45
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| Structure |
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| Formula |
C17H12F3N3O3S2
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| Molecular Weight |
427.429
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| Canonical SMILES |
Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C17H12F3N3O3S2/c1-9-16(27-17(22-9)23-15(24)14-4-2-3-5-21-14)28(25,26)8-10-6-12(19)13(20)7-11(10)18/h2-7H,8H2,1H3,(H,22,23,24)
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| InChIKey |
UIRWBZFLHDMTCS-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