LigandBoxID:D00736

NAME:Trientine hydrochloride;Syprine
SMILES: NCCNCCNCCN

2D 3D

SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D00736

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C6H22N4 150.270 4 10
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
0 0 -14.3897 -26.3804
LOGS LOGP    
$$$$ $$$$    

Links to the same SMILES compounds

LIGANDBOX C07166 HTS1610-00246508 HTS1610-00246509 PDB_104
CHEMBL CHEMBL1200783 CHEMBL609
ZINC ZINC19364225 ZINC19364225 ZINC19364225
PUBCHEM 110322 112357 11516486 11570784 11852012
11947890 146176 16211736 16218745 168637 168804
169943 172020 172239 176200 18694566 19064334
19827531 19869239 20485935 20532054 21440660 21455506
21455507 21496749 22372405 23083805 23112742 23112743
23112744 23112745 23118647 23344027 23344059 24189505
24190074 24190078 24197206 24840548 28145926 30081
3062898 3419249 3634516 417448 418404 418407
42629370 429333 4371967 44148534 45114136 4527952
46205517 50910102 50910638 50912687 50918133 50932456
50933721 50934199 5260446 53313164 5458180 5565
56835 56843477 56850458 57568754 60066757 61912
6378613 6395261 6396300 6455916 71433 71434
9831321 9852899


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