LigandBoxID:HTS1610-03805869-01

SMILES: CCCOc2cccc(C(Nc3ccc4nn(c1ccc(cc1)N(C)C)nc4c3)=O)c2

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-014515676-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C24H25N5O2 415.497 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.7451 -7.9006
LOGS LOGP    
-5.4973 3.8491    

Links to the same SMILES compounds

ZINC ZINC02052060
PUBCHEM 1718083

Links to the another version LigandBox compounds (same SMILES)

201710 HTS1710-02613603

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