DOM   Click here for help

GtoPdb Ligand ID: 164

Synonyms: (RS)-DOM | STP
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.48
Molecular weight 209.14
XLogP 1.82
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(C)c(cc1CC(N)C)OC
Isomeric SMILES COc1cc(C)c(cc1CC(N)C)OC
InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
InChI Key NTJQREUGJKIARY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine
Synonyms Click here for help
(RS)-DOM | STP
Database Links Click here for help
BindingDB Ligand 50005265
ChEMBL Ligand CHEMBL8600
DrugBank Ligand DB01528
GtoPdb PubChem SID 135650205
PubChem CID 85875
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