General Information of the Compound
| Compound ID |
CP0555849
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| Compound Name |
US9067922, 91
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| Structure |
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| Formula |
C18H9ClFN5O3S
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| Molecular Weight |
429.82
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| Canonical SMILES |
Fc1cnc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)nc1
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| InChI |
InChI=1S/C18H9ClFN5O3S/c19-16-6-14(2-1-11(16)7-21)28-17-4-3-15(5-12(17)8-22)29(26,27)25-18-23-9-13(20)10-24-18/h1-6,9-10H,(H,23,24,25)
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| InChIKey |
GZDUUAZILLHYPR-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