LigandBoxID:D02767

NAME:Adatanserin hydrochloride
SMILES: C(CN2CCN(c1ncccn1)CC2)NC(C54CC3CC(C4)CC(C5)C3)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02767

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H32N5O 370.521 1 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.0674 -12.4175
LOGS LOGP    
-3.7529 3.7999    

Links to the same SMILES compounds

LIGANDBOX HTS1610-06497069
CHEMBL CHEMBL1194252 CHEMBL545793
ZINC ZINC53046001
PUBCHEM 130918 183784 44365260 9803386


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