General Information of the Compound
| Compound ID |
CP0465181
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| Compound Name |
US9067922, 60
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| Structure |
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| Formula |
C19H10ClFN4O3S
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| Molecular Weight |
428.832
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)c(c3)C#N)c(c2)C#N)nc1
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| InChI |
InChI=1S/C19H10ClFN4O3S/c20-17-4-2-15(7-12(17)9-22)28-18-5-3-16(8-13(18)10-23)29(26,27)25-19-6-1-14(21)11-24-19/h1-8,11H,(H,24,25)
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| InChIKey |
PIIFSEKLRTUDQZ-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