General Information of the Compound
| Compound ID |
CP0549715
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| Compound Name |
N-[3-[(6R)-8-amino-2-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
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| Structure |
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| Formula |
C21H15FN8O
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| Molecular Weight |
414.404
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| Canonical SMILES |
C[C@]1(Cn2cc(nc2C(N)=N1)C#N)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
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| InChI |
InChI=1S/C21H15FN8O/c1-21(11-30-10-14(8-24)27-19(30)18(25)29-21)15-6-13(3-4-16(15)22)28-20(31)17-5-2-12(7-23)9-26-17/h2-6,9-10H,11H2,1H3,(H2,25,29)(H,28,31)/t21-/m0/s1
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| InChIKey |
SMKLPOGYVJHNSP-NRFANRHFSA-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
Protein ID: PT01151, Amyloid-beta precursor protein
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2