General Information of the Compound
| Compound ID |
CP0549952
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| Compound Name |
US10668051, Compound Example 72
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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)Cc2cccnc2)cc1
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| InChI |
InChI=1S/C20H17F3N4O/c21-20(22,23)18-11-17(14-3-4-14)27(26-18)16-7-5-15(6-8-16)25-19(28)10-13-2-1-9-24-12-13/h1-2,5-9,11-12,14H,3-4,10H2,(H,25,28)
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| InChIKey |
HACUWFNZXMLECQ-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