LigandBoxID:D09925

NAME:Linsitinib
SMILES: c1ccc(c2ccc4ccc(c6nc(C3CC(C3)(O)C)n5ccnc(c65)N)cc4n2)cc1

2D 3D


select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D09925

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C26H23N5O 421.504 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
4 0 -0.8320 -8.1950
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.611187983E+01 0.887431800E+00 + 3.8457

Links to the same SMILES compounds

CHEMBL CHEMBL1091644 CHEMBL1996234
ZINC ZINC53239527
PUBCHEM 11640390 24893982 52915009 53244583 53244584
53244585 53363665

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