BI-7273   Click here for help

GtoPdb Ligand ID: 9146

PDB Ligand
Compound class: Synthetic organic
Comment: BI-7273 (compound 1 in PMID: 26914985}, is a selective BRD9 inhibitor tool compound [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 56.59
Molecular weight 353.17
XLogP 3.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2
Isomeric SMILES COc1cc(cc(c1CN(C)C)OC)c1cn(C)c(=O)c2c1ccnc2
InChI InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
InChI Key RBUYFHLQNPJMQM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
Database Links Click here for help
GtoPdb PubChem SID 315661231
PubChem CID 118796358
RCSB PDB Ligand 5SW
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