General Information of the Compound
| Compound ID |
CP0529050
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| Compound Name |
US9434711, 788
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| Structure |
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| Formula |
C23H26F3N3O3S2
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| Molecular Weight |
513.607
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C23H26F3N3O3S2/c1-17-19-6-2-3-7-20(19)33-22(17)29(11-5-4-10-23(24,25)26)34(30,31)18-8-9-21(27-16-18)28-12-14-32-15-13-28/h2-3,6-9,16H,4-5,10-15H2,1H3
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| InChIKey |
GLGLBBDJKVQWRX-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