General Information of the Compound
| Compound ID |
CP0560981
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| Compound Name |
US9139578, 7
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| Structure |
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| Formula |
C23H18F2N8O4S2
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| Molecular Weight |
572.579
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(NC(=O)Nc1ccc(F)cc1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C23H18F2N8O4S2/c24-14-3-5-15(6-4-14)29-23(34)31-20(21-33-32-19(37-21)11-28-39(26,35)36)22-30-16-7-1-12(9-17(16)38-22)13-2-8-18(25)27-10-13/h1-10,20,28H,11H2,(H2,26,35,36)(H2,29,31,34)
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| InChIKey |
TUHLTTPOEXVXFA-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