General Information of the Compound
| Compound ID |
CP0414551
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| Compound Name |
US9278960, 2-9
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| Structure |
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| Formula |
C21H14FN3O2
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| Molecular Weight |
359.36
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| Canonical SMILES |
Fc1ccc(cc1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C#N
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| InChI |
InChI=1S/C21H14FN3O2/c22-15-4-2-14(3-5-15)18-10-16(11-23)24-19-9-13(1-6-17(18)19)12-25-20(26)7-8-21(25)27/h1-6,9-10H,7-8,12H2
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| InChIKey |
AEULCOQYMJLJAL-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