LigandBoxID:D02045

NAME:Benidipine hydrochloride;KW 3049;Coniel
SMILES: COC(c4c(nc(c(c4c2cccc(c2)N(=O)O)C(OC3CCCN(C3)Cc1ccccc1)=O)C)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02045

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C28H32N3O6 506.579 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 3 -3.7123 -11.1975
LOGS LOGP    
-6.3431 4.8744    

Links to the same SMILES compounds

LIGANDBOX D07509
ZINC ZINC21992076 ZINC21992079 ZINC31284167 ZINC33905880
PUBCHEM 10029174 11455517 123768 2324 29926976
29926979 3088702 3088703 44146578 45114194 5749098
58893137 60065 656667 656668


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