General Information of the Compound
| Compound ID |
CP0539876
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| Compound Name |
US9278960, 6-6
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| Structure |
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| Formula |
C23H15FN4O
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| Molecular Weight |
382.398
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(nc3)C#N)cc2n1
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| InChI |
InChI=1S/C23H15FN4O/c24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15/h1-8,10-11,13H,9H2,(H2,26,29)
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| InChIKey |
RGROFRQKOCQFNK-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