LigandBoxID:D07637

SMILES: CC(OCc2csc3C(C(n3c2C(=O)O)=O)NC(CSc1ccncc1)=O)=O

2D 3D

SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D07637

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C17H16N3O6S2 422.460 -1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
7 2 1.4788 -5.1918
LOGS LOGP    
-8.2331 2.3713    

Links to the same SMILES compounds

LIGANDBOX C06896 C08101 D00908 D07636 HTS1306-03167109
CHEMBL CHEMBL1161453 CHEMBL1201043 CHEMBL1314545 CHEMBL1321510 CHEMBL1473193
CHEMBL1599 CHEMBL1617485 CHEMBL1617862 CHEMBL1975494
PUBCHEM 12906737 167441 16757648 18469536 20056757
21680724 23615628 23662401 23675072 23675312 23684977
23713217 24195305 2616 2672 30699 40467106
40467107 40467108 45357576 465015 56649770 6455268
6604090


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