General Information of the Compound
| Compound ID |
CP0535576
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| Compound Name |
US10668051, Compound Example 126
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| Structure |
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| Formula |
C16H11F5N4OS
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| Molecular Weight |
402.348
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| Canonical SMILES |
Cc1ncsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)F)C(F)(F)F
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| InChI |
InChI=1S/C16H11F5N4OS/c1-8-13(27-7-22-8)15(26)23-9-2-4-10(5-3-9)25-11(14(17)18)6-12(24-25)16(19,20)21/h2-7,14H,1H3,(H,23,26)
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| InChIKey |
AXWNMOKUOCPKID-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