MetaADEDB 2.0 @ LMMD
1-(4-(1-((E)-4-cyclohexyl-3-trifluoromethylbenzyloxyimino)-ethyl)-2-ethylbenzyl)-azetidine-3-carboxylic acid
(KIHYPELVXPAIDH-HNSNBQBZSA-N)
Structure
SMILES
CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C
Type(s)
Approved; Investigational
Molecular Formula:
C29H35F3N2O3
Molecular Weight:
516.595
Log P:
6.7106
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
1
TPSA:
62.13
CAS Number(s):
1230487-00-9; 1230487-85-0
Synonym(s)
1.
1-(4-(1-((E)-4-cyclohexyl-3-trifluoromethylbenzyloxyimino)-ethyl)-2-ethylbenzyl)-azetidine-3-carboxylic acid
2.
BAF-312
3.
BAF312
4.
siponimod
External Link(s)
MeSHC578989
PubChem Compound44599207
BindingDB50428142
CHEMBLCHEMBL2336071
DrugBankDB12371
KEGGdr:D11460
Adverse Drug Event(s)
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