LigandBoxID:D06221

NAME:Triciribine phosphate
SMILES: OP(OCC1OC(n3cc4C(=NN(c2ncnc3c42)C)N)C(C1O)O)(=O)O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D06221

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C13H15N6O7P 398.272 -2 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
10 4 3.6653 0.2852
LOGS LOGP    
-2.2890 0.7456    

Links to the same SMILES compounds

LIGANDBOX PDB_TR5
CHEMBL CHEMBL1703689 CHEMBL462018 CHEMBL610946
PUBCHEM 24840908 322539 43860 44460466 46875437
57336508


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