General Information of the Compound
| Compound ID |
CP0550639
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| Compound Name |
US9278960, 4-42
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| Structure |
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| Formula |
C21H20FN3O3S
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| Molecular Weight |
413.474
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1
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| InChI |
InChI=1S/C21H20FN3O3S/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-29(27,28)10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26)
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| InChIKey |
IJZGCDFZSMMYGN-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