AL-37350A   Click here for help

GtoPdb Ligand ID: 160

Synonyms: AL 37350A | AL37350A
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 2
Rotatable bonds 2
Topological polar surface area 51.04
Molecular weight 230.14
XLogP 1.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cc1c[nH]c2c1c1CCCOc1cc2)N
Isomeric SMILES C[C@@H](Cc1c[nH]c2c1c1CCCOc1cc2)N
InChI InChI=1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1
InChI Key VVHJUSGIUWQPIT-VIFPVBQESA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-(3,7,8,9-tetrahydropyrano[3,2-e]indol-1-yl)propan-2-amine
Synonyms Click here for help
AL 37350A | AL37350A
Database Links Click here for help
BindingDB Ligand 50133232
ChEMBL Ligand CHEMBL133455
GtoPdb PubChem SID 135649913
PubChem CID 10331436
Search Google for chemical match using the InChIKey VVHJUSGIUWQPIT-VIFPVBQESA-N
Search Google for chemicals with the same backbone VVHJUSGIUWQPIT
Search UniChem for chemical match using the InChIKey VVHJUSGIUWQPIT-VIFPVBQESA-N
Search UniChem for chemicals with the same backbone VVHJUSGIUWQPIT
Wikipedia AL-37350A