General Information of the Compound
| Compound ID |
CP0412536
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| Compound Name |
US9233953, 77
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| Structure |
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| Formula |
C18H19F4N3O4S2
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| Molecular Weight |
481.493
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| Canonical SMILES |
Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1cc(on1)C(F)(F)F
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| InChI |
InChI=1S/C18H19F4N3O4S2/c19-15-2-1-13(30-15)12-10-24(16-9-14(29-23-16)18(20,21)22)5-6-25(12)17(26)11-3-7-31(27,28)8-4-11/h1-2,9,11-12H,3-8,10H2
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| InChIKey |
FFIGBVGCGVEXLG-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