General Information of the Compound
| Compound ID |
CP0047772
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| Compound Name |
US9192603, 13
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| Structure |
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| Formula |
C17H13F2N3O3S2
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| Molecular Weight |
409.439
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| Canonical SMILES |
Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1ccc(F)cc1F
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| InChI |
InChI=1S/C17H13F2N3O3S2/c1-10-16(27(24,25)9-11-5-6-12(18)8-13(11)19)26-17(21-10)22-15(23)14-4-2-3-7-20-14/h2-8H,9H2,1H3,(H,21,22,23)
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| InChIKey |
YADXSBFQBGFCOT-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