General Information of the Compound
| Compound ID |
CP0419838
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| Compound Name |
US9233953, 114
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| Structure |
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| Formula |
C19H21F3N4O4S
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| Molecular Weight |
458.462
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| Canonical SMILES |
FC(F)c1nc(no1)N1CCN(C(C1)c1ccc(F)cc1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C19H21F3N4O4S/c20-14-3-1-12(2-4-14)15-11-25(19-23-17(16(21)22)30-24-19)7-8-26(15)18(27)13-5-9-31(28,29)10-6-13/h1-4,13,15-16H,5-11H2
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| InChIKey |
XUJWZSIBPVKFRW-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