General Information of the Compound
| Compound ID |
CP0414454
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| Compound Name |
US9278960, 4-32
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| Structure |
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| Formula |
C22H19FN4O
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| Molecular Weight |
374.419
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC[C@H]3C#N)cc2n1
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| InChI |
InChI=1S/C22H19FN4O/c23-16-6-4-15(5-7-16)19-11-21(22(25)28)26-20-10-14(3-8-18(19)20)13-27-9-1-2-17(27)12-24/h3-8,10-11,17H,1-2,9,13H2,(H2,25,28)/t17-/m0/s1
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| InChIKey |
JQAKDZGKAYRALF-KRWDZBQOSA-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