LigandBoxID:HTS1610-01902277-01

SMILES: CN(CCCn2c(c(n4c2nc3N(C(N(C(c43)=O)Cc1ccccc1[Cl])=O)C)C)C)C

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki1610
NS-012392127-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H28N6O2Cl 443.959 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.4572 -10.4304
LOGS LOGP    
-6.7580 3.8728    
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