General Information of the Compound
| Compound ID |
CP0512305
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| Compound Name |
US9340500, I-080
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| Structure |
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| Formula |
C25H28F3N3O3S
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| Molecular Weight |
507.578
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| Canonical SMILES |
Cc1c(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc(-c2ccccc2)n1CCCN1CCOCC1
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| InChI |
InChI=1S/C25H28F3N3O3S/c1-19-23(29-35(32,33)22-10-5-9-21(17-22)25(26,27)28)18-24(20-7-3-2-4-8-20)31(19)12-6-11-30-13-15-34-16-14-30/h2-5,7-10,17-18,29H,6,11-16H2,1H3
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| InChIKey |
QAYIEMYIDNDNDO-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