General Information of the Compound
| Compound ID |
CP0457045
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| Compound Name |
US10668051, Compound Example 71
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| Structure |
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| Formula |
C20H17F3N4O
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| Molecular Weight |
386.377
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| Canonical SMILES |
FC(F)(F)c1cc(C2CC2)n(n1)-c1ccc(NC(=O)Cc2ccccn2)cc1
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| InChI |
InChI=1S/C20H17F3N4O/c21-20(22,23)18-12-17(13-4-5-13)27(26-18)16-8-6-14(7-9-16)25-19(28)11-15-3-1-2-10-24-15/h1-3,6-10,12-13H,4-5,11H2,(H,25,28)
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| InChIKey |
IZKQBCKEKYHTTF-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