General Information of the Compound
| Compound ID |
CP0518518
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| Compound Name |
US9434711, 687
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| Structure |
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| Formula |
C21H18F3N3O3S3
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| Molecular Weight |
513.588
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| Canonical SMILES |
FC(F)(F)CCCCN(c1cc2ccccc2s1)S(=O)(=O)c1ccc(cc1)-c1nsc(=O)[nH]1
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| InChI |
InChI=1S/C21H18F3N3O3S3/c22-21(23,24)11-3-4-12-27(18-13-15-5-1-2-6-17(15)31-18)33(29,30)16-9-7-14(8-10-16)19-25-20(28)32-26-19/h1-2,5-10,13H,3-4,11-12H2,(H,25,26,28)
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| InChIKey |
COKPTKNSCKTDFF-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