General Information of the Compound
| Compound ID |
CP0447491
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| Compound Name |
US9067922, 43
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| Structure |
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| Formula |
C19H10F2N4O3S
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| Molecular Weight |
412.377
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(F)c3)c(c2)C#N)nc1
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| InChI |
InChI=1S/C19H10F2N4O3S/c20-14-2-6-19(24-11-14)25-29(26,27)16-4-5-18(13(7-16)10-23)28-15-3-1-12(9-22)17(21)8-15/h1-8,11H,(H,24,25)
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| InChIKey |
FLGIGPHQQJOIGS-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