General Information of the Compound
| Compound ID |
CP0572452
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| Compound Name |
US9434711, 581
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| Structure |
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| Formula |
C20H17BrF3N3O4S3
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| Molecular Weight |
596.472
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| Canonical SMILES |
FC(F)(F)CCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(cc1)C1=NOS(=O)N1
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| InChI |
InChI=1S/C20H17BrF3N3O4S3/c21-17-15-5-1-2-6-16(15)32-19(17)27(12-4-3-11-20(22,23)24)34(29,30)14-9-7-13(8-10-14)18-25-31-33(28)26-18/h1-2,5-10H,3-4,11-12H2,(H,25,26)
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| InChIKey |
IAUJSRDKYZAUIG-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