LigandBoxID:D00252

NAME:Carbamazepine;Equetro;Tegretol
SMILES: NC(N3c1ccccc1C=Cc2ccccc32)=O

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00252

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C15H12N2O 236.274 0 2
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -0.8664 -8.2292
LOGS LOGP    
-4.5009 3.7458    

Links to the same SMILES compounds

LIGANDBOX C06868 HTS1610-00000277 KSH2016-00023957
CHEMBL CHEMBL108
ZINC ZINC00004785
PUBCHEM 12412209 158856 19925940 22229155 23581837
2554 44179704 45038543 45139237 49849599 58607837


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