LigandBoxID:D04024

NAME:Lapatinib tosilate hydrate;Lapatinib ditosylate;Tykerb
SMILES: Fc1cccc(COc3ccc(Nc5ncnc4ccc(c2ccc(o2)CNCCS(=O)(=O)C)cc54)cc3[Cl])c1

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D04024

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C29H27N4O4FSCl 582.075 1 3
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 0 -5.0109 -10.6061
LOGS LOGP    
$$$$ 3.9951    

Links to the same SMILES compounds

LIGANDBOX D08108 PDB_FMM
CHEMBL CHEMBL1076241 CHEMBL1201179 CHEMBL1201183 CHEMBL554
ZINC ZINC01550477
PUBCHEM 10306585 11457225 11557040 11586143 11665360
11679357 16755680 208908 208909 23652897 24743759
24808506 25152498 25152499 25152500 25152698 25152699
25152700 25152701 25152918 25152919 25152920 25152921
25153126 25153127 44131664 44137132 44199879 44199880
44199881 44199992 44199993 44199994 44200111 44200112
44200238 44201169 44555475 49849309 51002276 51002277
51002319 51002320 51002321 51002322 51002358 51002359
51002360 51002361 51002400 51002401 51002402 51002441
51002442 51002443 51002444 51002485 51002486 51002487
51002488 51380939 52913610 52913611 52913719 54671397
54671417 54753346 56653788 56832508 57331279 57347590
57347591 9941095


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