General Information of the Compound
| Compound ID |
CP0442899
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| Compound Name |
US9187424, 298
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| Structure |
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| Formula |
C24H30F3N3O4S
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| Molecular Weight |
513.582
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| Canonical SMILES |
CCCCCCC#CC1(CC(=C(NC(=O)CNS(C)(=O)=O)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H30F3N3O4S/c1-4-5-6-7-8-9-14-23(24(25,26)27)15-19(18-12-10-17(2)11-13-18)21(22(32)30-23)29-20(31)16-28-35(3,33)34/h10-13,28H,4-8,15-16H2,1-3H3,(H,29,31)(H,30,32)
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| InChIKey |
XFAAVSFTQPYISV-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