LigandBoxID:D01173

NAME:Cilnidipine;Atelec
SMILES: O(CCOC(c3c(nc(c(c3c2cccc(c2)N(=O)O)C(OCC=Cc1ccccc1)=O)C)C)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01173

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C27H28N2O7 492.528 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 1 -1.2485 -9.0757
LOGS LOGP    
-6.4981 4.3595    

Links to the same SMILES compounds

LIGANDBOX HTS1610-00122384 HTS1610-00122385 KSH2016-01632874
CHEMBL CHEMBL452076
ZINC ZINC19632657 ZINC19632663
PUBCHEM 15686619 23729122 24744059 2752 28248392
28248393 5282138


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