LigandBoxID:D00618

NAME:Nisoldipine;Sular
SMILES: CC(COC(c2c(nc(c(c2c1ccccc1N(=O)O)C(OC)=O)C)C)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00618

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C20H24N2O6 388.420 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 1 -0.5817 -8.9009
LOGS LOGP    
-5.5518 3.7086    

Links to the same SMILES compounds

LIGANDBOX C07699 HTS1610-00126814 HTS1610-00126815 KSH2016-00016183
CHEMBL CHEMBL1726
ZINC ZINC22055549
PUBCHEM 10385461 25007948 25273563 28248400 4499
45040024 451026 45359045 53394719 56656341 56656396
56656398


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