LigandBoxID:HTS2204-02088551-01

SMILES: c1cccc(CN3CCN(c4ncnc5c(c2ccc(cc2)[Cl])nsc54)CC3)c1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-013406660-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H20N5SCl 421.955 0 0
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -4.0097 -10.7737
mLOGS mLOGD mLOGPA  
-4.714 3.112 -4.741  

Links to the same SMILES compounds

PUBCHEM 1462131

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