LigandBoxID:HTS1610-01272499-01

SMILES: COc2cccc(CN(c4nnc3CCCCCn43)C(Nc1ccccc1)=O)c2

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-006530590-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H25N5O2 391.475 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 0.2147 -8.7832
LOGS LOGP    
-6.8379 4.7599    

Links to the same SMILES compounds

ZINC ZINC08494650
PUBCHEM 4752600


[Back to top page]