LigandBoxID:D04785

NAME:Lotrafiban hydrochloride
SMILES: OC(CC3Nc4ccc(C(N2CCC(C1CCNCC1)CC2)=O)cc4CN(C3=O)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04785

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C23H32N4O4 428.533 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 1 -3.1105 -5.6749
LOGS LOGP    
-5.1791 2.5740    

Links to the same SMILES compounds

CHEMBL CHEMBL143219 CHEMBL356301 CHEMBL356986
PUBCHEM 10693833 11271247 23297701 80274 80275
9823909


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