General Information of the Compound
| Compound ID |
CP0356123
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| Compound Name |
N-[6-[2-[(2-fluorophenyl)sulfonyl-methylamino]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide
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| Structure |
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| Formula |
C20H16FN5O3S2
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| Molecular Weight |
457.512
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| Canonical SMILES |
CN(c1nccc(n1)-c1ccc2nc(NC(C)=O)sc2c1)S(=O)(=O)c1ccccc1F
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| InChI |
InChI=1S/C20H16FN5O3S2/c1-12(27)23-20-25-16-8-7-13(11-17(16)30-20)15-9-10-22-19(24-15)26(2)31(28,29)18-6-4-3-5-14(18)21/h3-11H,1-2H3,(H,23,25,27)
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| InChIKey |
POTXEIKHPXLNLL-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: PT00845, RAC-alpha serine/threonine-protein kinase