SDZ 64-412   Click here for help

GtoPdb Ligand ID: 1855

Synonyms: SDZ-64412
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 0
Rotatable bonds 7
Topological polar surface area 44.98
Molecular weight 440.21
XLogP 7.37
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC
Isomeric SMILES COc1cc(CCc2ccc(cc2)c2cc3ccccc3c3=NCCn23)cc(c1OC)OC
InChI InChI=1S/C28H28N2O3/c1-31-25-16-20(17-26(32-2)27(25)33-3)9-8-19-10-12-21(13-11-19)24-18-22-6-4-5-7-23(22)28-29-14-15-30(24)28/h4-7,10-13,16-18H,8-9,14-15H2,1-3H3
InChI Key FKRBSORUVOGNEK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[4-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,3-dihydroimidazo[2,1-a]isoquinoline
Synonyms Click here for help
SDZ-64412
Database Links Click here for help
BindingDB Ligand 50041921
ChEBI CHEBI:152276
ChEMBL Ligand CHEMBL449395
GtoPdb PubChem SID 135651034
PubChem CID 159547
Search Google for chemical match using the InChIKey FKRBSORUVOGNEK-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey FKRBSORUVOGNEK-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FKRBSORUVOGNEK-UHFFFAOYSA-N