General Information of the Compound
| Compound ID |
CP0252114
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| Compound Name |
N-[3-(1-amino-3-methyl-4H-2,6-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C22H17FN6O
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| Molecular Weight |
400.417
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| Canonical SMILES |
CC1(Cc2cnccc2C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C22H17FN6O/c1-22(9-14-12-26-7-6-16(14)20(25)29-22)17-8-15(3-4-18(17)23)28-21(30)19-5-2-13(10-24)11-27-19/h2-8,11-12H,9H2,1H3,(H2,25,29)(H,28,30)
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| InChIKey |
JOHPZDTZXLXEQE-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