General Information of the Compound
| Compound ID |
CP0483304
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| Compound Name |
US9422235, 56
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| Structure |
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| Formula |
C20H19ClF3N3O3S
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| Molecular Weight |
473.904
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2ccc(cc2Cl)C#N)ccc1S(=O)(=O)NCC1CCOCC1
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| InChI |
InChI=1S/C20H19ClF3N3O3S/c21-17-9-14(11-25)1-3-18(17)27-15-2-4-19(16(10-15)20(22,23)24)31(28,29)26-12-13-5-7-30-8-6-13/h1-4,9-10,13,26-27H,5-8,12H2
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| InChIKey |
SFOINDQIXDKOBV-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