General Information of the Compound
| Compound ID |
CP0518843
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| Compound Name |
US9035059, 22-2
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| Structure |
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| Formula |
C32H36F4N2O3S
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| Molecular Weight |
604.71
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| Canonical SMILES |
Fc1cc(CCCC2CCCC2)ccc1NS(=O)(=O)c1ccc2CN(CCc3ccc(OC(F)(F)F)cc3)CCc2c1
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| InChI |
InChI=1S/C32H36F4N2O3S/c33-30-20-25(7-3-6-23-4-1-2-5-23)10-15-31(30)37-42(39,40)29-14-11-27-22-38(19-17-26(27)21-29)18-16-24-8-12-28(13-9-24)41-32(34,35)36/h8-15,20-21,23,37H,1-7,16-19,22H2
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| InChIKey |
BVVXFUQDWXPMHJ-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