Oprea1_724488


SMILES CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=CC=C4C)O)O
InChIKey HBTMNVJREDWGSK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 412.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A2A

Bioactivities