LigandBoxID:D09386

NAME:Talmapimod
SMILES: CN(C(C(c4cn(c3cc(c(C(N2CC(N(Cc1ccc(cc1)F)CC2C)C)=O)cc43)[Cl])C)=O)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D09386

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C27H31N4O3FCl 514.021 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 3 -3.9055 -11.2514
LOGS LOGP    
-5.9582 3.2905    

Links to the same SMILES compounds

LIGANDBOX PDB_469
CHEMBL CHEMBL514201
ZINC ZINC34001955 ZINC34001955
PUBCHEM 16035045 23526785 58820174 9871074


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