General Information of the Compound
| Compound ID |
CP0291671
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| Compound Name |
5-(1-(4-fluoro-3-methylphenyl)-2-oxo-1,2-dihydrobenzo[h][1,6]naphthyridin-9-yl)picolinonitrile
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| Structure |
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| Formula |
C25H12F4N4O
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| Molecular Weight |
460.39
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1ccc(nc1)C#N
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| InChI |
InChI=1S/C25H12F4N4O/c26-21-6-5-18(10-20(21)25(27,28)29)33-23(34)8-3-16-13-32-22-7-2-14(9-19(22)24(16)33)15-1-4-17(11-30)31-12-15/h1-10,12-13H
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| InChIKey |
PBEHJFYEBNZKRF-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