TGX-221   Click here for help

GtoPdb Ligand ID: 8244

Synonyms: TGX 221
Compound class: Synthetic organic
Comment: TGX-221 is reported as a selective inhibitor of phosphatidylinositol 3-kinase (PI3K) β [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 58.87
Molecular weight 364.19
XLogP 3.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cc(C(Nc2ccccc2)C)c2n(c1)c(=O)cc(n2)N1CCOCC1
Isomeric SMILES Cc1cc(C(Nc2ccccc2)C)c2n(c1)c(=O)cc(n2)N1CCOCC1
InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
InChI Key CPRAGQJXBLMUEL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-methyl-2-morpholin-4-yl-9-[1-(phenylamino)ethyl]pyrido[2,1-b]pyrimidin-4-one
Synonyms Click here for help
TGX 221
Database Links Click here for help
CAS Registry No. 663619-89-4
ChEMBL Ligand CHEMBL1972466
GtoPdb PubChem SID 249565924
PubChem CID 9907093
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Tocris
TGX 221
Cat. No. 5832