General Information of the Compound
| Compound ID |
CP0229673
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| Compound Name |
6-(2-chlorophenyl)-8-methyl-2-(3-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C21H17ClN4O3S
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| Molecular Weight |
440.912
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| Canonical SMILES |
Cn1c2nc(Nc3cccc(c3)S(C)(=O)=O)ncc2cc(-c2ccccc2Cl)c1=O
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| InChI |
InChI=1S/C21H17ClN4O3S/c1-26-19-13(10-17(20(26)27)16-8-3-4-9-18(16)22)12-23-21(25-19)24-14-6-5-7-15(11-14)30(2,28)29/h3-12H,1-2H3,(H,23,24,25)
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| InChIKey |
CNHAKFYAPGFFRH-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: PT03970, Nucleotide-binding oligomerization domain-containing protein 2
Protein ID: PT01405, Receptor-interacting serine/threonine-protein kinase 2