LigandBoxID:D00966

NAME:Tamoxifen citrate;Nolvadex
SMILES: CN(CCOc3ccc(C(c2ccccc2)=C(c1ccccc1)CC)cc3)C

2D 3D


SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D00966

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C26H30NO 372.532 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
1 0 -4.2660 -10.6960
LOGS AGGREGATOR_PROBABILITY CARCINOGENICITY_FN CARCINOGENICITY_FN_AD
-0.435351992E+01 0.388600469E+00 + 0.7710

Links to the same SMILES compounds

LIGANDBOX 00109958 01354057 C07108 D08559 PDB_CTX
PDB_TAX
CHEMBL CHEMBL1744442 CHEMBL1789176 CHEMBL300460 CHEMBL786 CHEMBL83
ZINC ZINC01530689 ZINC01530690
PUBCHEM 10078871 11451630 11512856 11764052 11859056
12543888 154923 16663254 20057167 21150886 21150887
21150888 21150889 23623949 23672 24748532 24875371
25010734 2733525 2733526 3032583 3033630 3036736
3370247 44199365 44472519 44511331 45040456 46917116
5289438 53316424 5376 54582013 5462114 6369059
9809742 9831054 9874333 9896167 9896842 9917806
9917958 9938601 9961084

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

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