General Information of the Compound
| Compound ID |
CP0560750
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| Compound Name |
US9012443, 54
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| Structure |
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| Formula |
C22H15F3N6O2S2
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| Molecular Weight |
516.53
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C22H15F3N6O2S2/c1-31-19(7-9-28-31)18-11-14(22(23,24)25)2-4-17(18)20-16-5-3-15(10-13(16)6-8-26-20)35(32,33)30-21-27-12-29-34-21/h2-12H,1H3,(H,27,29,30)
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| InChIKey |
QVIPCVYLCZNZIV-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