General Information of the Compound
| Compound ID |
CP0472834
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| Compound Name |
US9067935, 12
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| Structure |
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| Formula |
C21H16F3N3O3S
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| Molecular Weight |
447.438
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN(c2cn3ccccc3n2)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C21H16F3N3O3S/c22-21(23,24)30-17-11-9-16(10-12-17)14-27(31(28,29)18-6-2-1-3-7-18)20-15-26-13-5-4-8-19(26)25-20/h1-13,15H,14H2
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| InChIKey |
WFXBIQGMVFJHIM-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