LigandBoxID:D00989

NAME:Leuprorelin acetate;Leuprolide acetate;Lupron;Lutrate
SMILES: CCNC(C5CCCN5C(C(NC(C(NC(C(NC(C(Cc2ccc(cc2)O)NC(C(NC(C(Cc6cnc4ccccc64)NC(C(CC1NCNC1)NC(C3CCC(N3)=O)=O)=O)=O)CO)=O)=O)CC(C)C)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00989

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C59H84N16O12 1209.421 0 17
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
14 9 0.1771 -8.3920
LOGS LOGP    
-16.4992 -1.8343    

Links to the same SMILES compounds

LIGANDBOX C07612 D08113


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