LigandBoxID:HTS2204-01059356-01

SMILES: CCc4oc(C(Nc2ccc(Cn3ncnc3)cc2)=O)cc4CN1CCOCC1

2D 3D

SDF file MOL2 file

Compound ID of the source

Namiki2204
NS-007136056-0000

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C21H25N5O3 395.463 0 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
5 0 -4.2750 -10.9399
mLOGS mLOGD mLOGPA  
-3.500 2.089 -4.951  

Links to the same SMILES compounds

PUBCHEM 46969047

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