General Information of the Compound
| Compound ID |
CP0405021
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| Compound Name |
2,4-difluoro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)pyridin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H16F2N4O4S
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| Molecular Weight |
458.446
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C)c(=O)n2c1
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| InChI |
InChI=1S/C21H16F2N4O4S/c1-12-9-24-19-6-3-13(11-27(19)21(12)28)14-7-17(20(31-2)25-10-14)26-32(29,30)18-5-4-15(22)8-16(18)23/h3-11,26H,1-2H3
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| InChIKey |
XUEJBBRTXBMNEU-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