LigandBoxID:D07641

SMILES: CON=C(c1csc(n1)N)C(NC3C(N4C(=C(CSC43)CSC2NNNN2C)C(=O)O)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07641

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C16H16N9O5S3 510.557 -1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
10 2 1.2152 -5.2304
LOGS LOGP    
-4.1148 1.6143    

Links to the same SMILES compounds

LIGANDBOX D01739 HTS1410-04507408


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