General Information of the Compound
| Compound ID |
CP0451415
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| Compound Name |
US9434711, 75
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| Structure |
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| Formula |
C22H18F4N2O2S3
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| Molecular Weight |
514.591
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| Canonical SMILES |
Cc1nc(C)c(s1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C22H18F4N2O2S3/c1-12-16-6-4-5-7-19(16)32-20(12)28(33(29,30)21-13(2)27-14(3)31-21)11-15-8-9-18(23)17(10-15)22(24,25)26/h4-10H,11H2,1-3H3
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| InChIKey |
ZWPSUFOLQCWAOP-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