General Information of the Compound
| Compound ID |
CP0559153
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| Compound Name |
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)pyridin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H15F3N4O4S
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| Molecular Weight |
476.436
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccc2nccc(=O)n2c1
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| InChI |
InChI=1S/C21H15F3N4O4S/c1-32-20-17(27-33(30,31)16-5-3-15(4-6-16)21(22,23)24)10-14(11-26-20)13-2-7-18-25-9-8-19(29)28(18)12-13/h2-12,27H,1H3
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| InChIKey |
QKQDHYKDZGGYGA-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: PT01065, Serine/threonine-protein kinase mTOR