LigandBoxID:D00440

NAME:Nizatidine;Acinon;Axid
SMILES: CN(Cc1scc(n1)CSCCNC(=CN(=O)O)NC)C

2D 3D


SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00440

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C12H22N5O2S2 332.471 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.5150 -10.4420
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.179241002E+01 0.159737077E-01 - 1.3282

Links to the same SMILES compounds

LIGANDBOX C07270
CHEMBL CHEMBL653
ZINC ZINC01530736 ZINC01530736
PUBCHEM 3033637 36688127 44123687 4513 5353831

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