General Information of the Compound
| Compound ID |
CP0414235
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| Compound Name |
US9187424, 313
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| Structure |
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| Formula |
C25H29F5N2O5S
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| Molecular Weight |
564.573
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| Canonical SMILES |
CCCCCCCC#CC1(CC(=C(NC(=O)CS(C)(=O)=O)C(=O)N1)c1ccc(OC(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H29F5N2O5S/c1-3-4-5-6-7-8-9-14-24(25(28,29)30)15-19(17-10-12-18(13-11-17)37-23(26)27)21(22(34)32-24)31-20(33)16-38(2,35)36/h10-13,23H,3-8,15-16H2,1-2H3,(H,31,33)(H,32,34)
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| InChIKey |
ZVJZJGPVEGFBLY-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