LigandBoxID:D05711

NAME:Regadenoson;Lexiscan
SMILES: CNC(C1CNN(c2nc(c4NCN(c4n2)C3OC(C(C3O)O)CO)N)C1)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D05711

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H18N8O5 390.360 0 6
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
9 4 -0.8185 -9.2274
LOGS LOGP    
-3.0349 1.1881    

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