General Information of the Compound
| Compound ID |
CP0529319
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| Compound Name |
US10668051, Compound Example 52
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| Structure |
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| Formula |
C17H14F3N5OS
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| Molecular Weight |
393.394
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| Canonical SMILES |
Cc1nnsc1C(=O)Nc1ccc(cc1)-n1nc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C17H14F3N5OS/c1-9-15(27-24-22-9)16(26)21-11-4-6-12(7-5-11)25-13(10-2-3-10)8-14(23-25)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,21,26)
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| InChIKey |
AFWWKCQISQJWEL-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