General Information of the Compound
| Compound ID |
CP0465523
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| Compound Name |
US9187424, 312
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| Structure |
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| Formula |
C26H33F3N2O5S
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| Molecular Weight |
542.62
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| Canonical SMILES |
CCCCCCCC#CC1(CC(=C(NC(=O)CS(C)(=O)=O)C(=O)N1)c1ccc(OCC)cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H33F3N2O5S/c1-4-6-7-8-9-10-11-16-25(26(27,28)29)17-21(19-12-14-20(15-13-19)36-5-2)23(24(33)31-25)30-22(32)18-37(3,34)35/h12-15H,4-10,17-18H2,1-3H3,(H,30,32)(H,31,33)
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| InChIKey |
ZXBDIJNSWDITLY-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