General Information of the Compound
| Compound ID |
CP0531480
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| Compound Name |
US9434711, 332
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| Structure |
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| Formula |
C26H19F4N3O2S2
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| Molecular Weight |
545.583
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)-n1cccn1
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| InChI |
InChI=1S/C26H19F4N3O2S2/c1-17-21-5-2-3-6-24(21)36-25(17)33(16-18-7-12-23(27)22(15-18)26(28,29)30)37(34,35)20-10-8-19(9-11-20)32-14-4-13-31-32/h2-15H,16H2,1H3
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| InChIKey |
BERQZFVESIMOKZ-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