LigandBoxID:D01401

SMILES: CON=C(c1nsc(n1)N)C(NC4C(n5c(c(Cn3cccc2CCCc32)csc54)C(=O)O)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D01401

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H21N7O5S2 515.573 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
8 2 -2.0732 -8.1191
LOGS LOGP    
$$$$ -5.3886    

Links to the same SMILES compounds

PUBCHEM 13326769 13326770 23724519


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