LigandBoxID:D00507

NAME:Phenoxybenzamine hydrochloride;Dibenzyline
SMILES: [Cl]CCN(C(COc1ccccc1)C)Cc2ccccc2

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00507

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H23NOCl 304.841 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 2 -4.2829 -11.9317
LOGS LOGP    
-4.2566 5.2159    

Links to the same SMILES compounds

LIGANDBOX C07435 C07436 D08358 HTS1610-00000269 HTS1610-00000270
CHEMBL CHEMBL1200787 CHEMBL1324405 CHEMBL753
ZINC ZINC00000610 ZINC00896875
PUBCHEM 23615897 25271712 25271713 28125503 45114167
45359066 4768 49849823 49849824 49849826 51041640
5230729 5284441 6141 657233 6603727 9871922


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