MetaADEDB 2.0 @ LMMD
beta-carboline-3-carboxylic acid methyl ester
(UKHFPVCOXBJPIN-UHFFFAOYSA-N)
Structure
SMILES
COC(=O)c1ncc2c(c1)c1ccccc1[nH]2
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.231
Log P:
2.5027
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
1
TPSA:
54.98
CAS Number(s):
69954-48-9
Synonym(s)
1.
beta-carboline-3-carboxylic acid methyl ester
2.
3-carbomethoxy-beta-carboline
3.
beta-CCM
4.
methyl beta-carboline-3-carboxylate
External Link(s)
MeSHC036150
PubChem Compound107704
BindingDB50001478
50243981
ChEBI92505
CHEMBLCHEMBL268191
CHEMBL453066
Therapeutic Target DatabaseD0J0CA
ZINC25301
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Seizures11206082CTD
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