General Information of the Compound
| Compound ID |
CP0535575
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| Compound Name |
US10668051, Compound Example 125
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| Structure |
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| Formula |
C16H12F4N4OS
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| Molecular Weight |
384.358
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| Canonical SMILES |
Cc1ncsc1C(=O)Nc1ccc(cc1)-n1nc(cc1CF)C(F)(F)F
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| InChI |
InChI=1S/C16H12F4N4OS/c1-9-14(26-8-21-9)15(25)22-10-2-4-11(5-3-10)24-12(7-17)6-13(23-24)16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25)
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| InChIKey |
QFLUJRNSUGGAAG-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