LigandBoxID:D07659

SMILES: CON=C(c1csc(n1)N)C(NC3C(n4c3scc(c4C(=O)O)CSC2=NC(C(NN2C)=O)=O)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07659

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C18H17N8O7S3 553.578 -1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
10 2 1.1005 -5.1187
LOGS LOGP    
-4.8892 0.2611    

Links to the same SMILES compounds

LIGANDBOX C06683 D00924 HTS1306-01575802 HTS1306-02037254 HTS1306-04570216
CHEMBL CHEMBL161 CHEMBL1722354 CHEMBL1741130 CHEMBL552182
PUBCHEM 11520717 11957492 12971801 13216808 16051965
16219141 16468053 18645692 23625930 23679441 23709629
23715082 25232936 25241153 25241484 25241485 2657
3713142 44181884 44558879 44655893 45479726 51800
53394792 5361919 54381228 5479530 58650821 5896995
5901977 59260648 60148412 6398678 6604082 6708462
9567560 9575089 9575091 9809230 9894479 9941397


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