General Information of the Compound
| Compound ID |
CP0554066
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| Compound Name |
US9434711, 323
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| Structure |
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| Formula |
C21H14BrF3N2O3S2
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| Molecular Weight |
543.386
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN(c2sc3ccccc3c2Br)S(=O)(=O)c2cccnc2)cc1
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| InChI |
InChI=1S/C21H14BrF3N2O3S2/c22-19-17-5-1-2-6-18(17)31-20(19)27(32(28,29)16-4-3-11-26-12-16)13-14-7-9-15(10-8-14)30-21(23,24)25/h1-12H,13H2
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| InChIKey |
RXMIMGZHOSAISH-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