LigandBoxID:D01604

NAME:Efonidipine hydrochloride ethanolate;Efonidipine hydrochloride ethanol;Efonidipine hydrochloride;NZ 105 ethanolate;Landel
SMILES: ON(c4cccc(c5c(c(nc(c5P3(OCC(CO3)(C)C)=O)C)C)C(OCCN(c2ccccc2)Cc1ccccc1)=O)c4)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01604

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C34H38N3O7P 631.666 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 1 -1.3383 -8.4493
LOGS LOGP    
-8.9673 5.3284    

Links to the same SMILES compounds

LIGANDBOX D07886
PUBCHEM 11764616 119170 119171 14884641 163838
21124256 21124257 24848255 57515990 9830707 9986510


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