LigandBoxID:D01172

NAME:Diphenylpyraline hydrochloride;Hispril;Vena
SMILES: CN1CCC(OC(c2ccccc2)c3ccccc3)CC1

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01172

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C19H24NO 282.407 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -3.9930 -11.9080
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.187595999E+01 0.179674122E-01 + 0.7172

Links to the same SMILES compounds

LIGANDBOX 00018584 D01627 D07862
CHEMBL CHEMBL1492 CHEMBL1564
ZINC ZINC00056643
PUBCHEM 21154191 214816 23615689 23624217 24187256
3064301 3103 3668575 43833355 45382238 57346205
66063 71640

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