General Information of the Compound
| Compound ID |
CP0515685
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| Compound Name |
US10668051, Compound Example 101
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| Structure |
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| Formula |
C16H13F3N6OS
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| Molecular Weight |
394.382
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| Canonical SMILES |
Cc1nnsc1C(=O)Nc1ccc(nc1)-n1nc(cc1C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C16H13F3N6OS/c1-8-14(27-24-22-8)15(26)21-10-4-5-13(20-7-10)25-11(9-2-3-9)6-12(23-25)16(17,18)19/h4-7,9H,2-3H2,1H3,(H,21,26)
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| InChIKey |
FECPMVWBSZDHPR-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