General Information of the Compound
| Compound ID |
CP0557689
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| Compound Name |
US11168089, Ex. No. 14
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| Structure |
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| Formula |
C19H11F3N6O
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| Molecular Weight |
396.332
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| Canonical SMILES |
Nc1nc(cc2nc(nn12)C(O)c1c(F)cccc1F)-c1cccc(C#N)c1F
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| InChI |
InChI=1S/C19H11F3N6O/c20-11-5-2-6-12(21)15(11)17(29)18-26-14-7-13(25-19(24)28(14)27-18)10-4-1-3-9(8-23)16(10)22/h1-7,17,29H,(H2,24,25)
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| InChIKey |
PSIZASRGFVKTTQ-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