General Information of the Compound
| Compound ID |
CP0433672
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| Compound Name |
3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C13H11F3N4O
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| Molecular Weight |
296.252
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| Canonical SMILES |
CNC(=O)c1nc(cnc1N)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C13H11F3N4O/c1-18-12(21)10-11(17)19-6-9(20-10)7-3-2-4-8(5-7)13(14,15)16/h2-6H,1H3,(H2,17,19)(H,18,21)
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| InChIKey |
YYEBYKCTUDXNMM-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform