LigandBoxID:D08947

NAME:Motesanib diphosphate
SMILES: n1ccc(CNc3ncccc3C(Nc2ccc4C(CNc4c2)(C)C)=O)cc1

2D 3D


SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D08947

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C22H23N5O 373.460 0 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
3 0 -0.3840 -8.3590
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.556499004E+01 0.782726467E+00 - 1.3728

Links to the same SMILES compounds

LIGANDBOX D06678 PDB_706
CHEMBL CHEMBL572881
ZINC ZINC18710082
PUBCHEM 11667893 16097729 16720764 23729449

PDB compound with the same structure: 706(PDBeChem Chem.Comp)

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