General Information of the Compound
| Compound ID |
CP0572382
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| Compound Name |
US9035059, 7-54
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| Structure |
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| Formula |
C27H34F4N2O2S
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| Molecular Weight |
526.64
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| Canonical SMILES |
Fc1cc(CCCC2CCCC2)ccc1NS(=O)(=O)c1ccc2CN(CCCC(F)(F)F)CCc2c1
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| InChI |
InChI=1S/C27H34F4N2O2S/c28-25-17-21(8-3-7-20-5-1-2-6-20)9-12-26(25)32-36(34,35)24-11-10-23-19-33(16-13-22(23)18-24)15-4-14-27(29,30)31/h9-12,17-18,20,32H,1-8,13-16,19H2
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| InChIKey |
KFJALJLHZPROHP-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