General Information of the Compound
| Compound ID |
CP0516776
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| Compound Name |
US9067935, 7
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| Structure |
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| Formula |
C21H14Cl2F3N3O3S
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| Molecular Weight |
516.328
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN(c2nc3ccc(Cl)cn3c2Cl)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C21H14Cl2F3N3O3S/c22-15-8-11-18-27-20(19(23)28(18)13-15)29(33(30,31)17-4-2-1-3-5-17)12-14-6-9-16(10-7-14)32-21(24,25)26/h1-11,13H,12H2
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| InChIKey |
CDBSTBQGWHNNNN-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