 |
| Ligand Name: gabexate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB859 |
PubChem:
3447
|
Synonym(s):
- 39492-01-8
- gabexate [inn]
- unii-4v7m9137x9
- chembl87563
- ethyl 4-[6-(diaminomethylideneamino)hexanoyloxy]benzoate
- gabexate (inn)
- 4v7m9137x9
- gabexato
- gabexatum
- gabexatum [inn-latin]
- gabexato [inn-spanish]
- ethyl p-hydroxybenzoate 6-guanidinohexanoate
- prestwick0_001008
- prestwick1_001008
- prestwick2_001008
- prestwick3_001008
- bspbio_001135
- schembl446024
- spbio_003016
- bpbio1_001249
- gtpl7863
- dtxsid9048566
- schembl13287301
- chebi:93036
- zinc2002226
- 8132ah
- bdbm50104435
- benzoic acid, 4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxy)-, ethyl ester
- db12831
- ethyl 4-(6-guanidinohexanoyloxy)benzoate
- ncgc00025297-01
- ncgc00025297-02
- ls-14525
- sbi-0207080.p001
- ethyl 4-((6-guanidinohexanoyl)oxy)benzoate
- ethyl-p-(6-guanidinohex-anoyloxy)-benzoate
- ab00513998
- d08004
- ab00513998_02
- q5515384
- 4-(6-guanidino-hexanoyloxy)-benzoic acid ethyl ester
- brd-k59256312-066-03-3
- 4-[6-(diaminomethylideneamino)-1-oxohexoxy]benzoic acid ethyl ester
show 42 synonym(s)
|
| DrugBank: DB12831 |
ChEMBL: CHEMBL87563 |
| Canonical SMILES: CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1 |
| Standard InChI: InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19) |
| Molecular Formula: C16H23N3O4 |
Mol. Weight: 321.16885 |
logP: 1.81217 |
| HBD: 3 | HBA: 5 |
| #Rotatable Bonds: 9 | TPSA: 114.5 |