General Information of the Compound
| Compound ID |
CP0512254
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| Compound Name |
US8987445, 212
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| Structure |
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| Formula |
C22H14ClF3N2O5S2
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| Molecular Weight |
542.944
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ncc(Cl)c2sccc12
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| InChI |
InChI=1S/C22H14ClF3N2O5S2/c23-18-11-27-20(17-9-10-34-19(17)18)28(12-13-1-5-15(6-2-13)33-22(24,25)26)35(31,32)16-7-3-14(4-8-16)21(29)30/h1-11H,12H2,(H,29,30)
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| InChIKey |
INSZUURACRGNJP-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