LigandBoxID:D07649

SMILES: CON=C(c1csc(n1)N)C(NC4C(N5C(=C(Cn3cccc2CCCc32)CSC54)C(=O)O)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07649

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H22N6O5S2 514.585 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 2 -2.0804 -8.1141
LOGS LOGP    
-3.3881 -2.3211    

Links to the same SMILES compounds

LIGANDBOX C11199
ZINC ZINC01532188 ZINC03922077 ZINC21983161 ZINC21985848 ZINC21985850
ZINC21985852


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