GYKI53784   Click here for help

GtoPdb Ligand ID: 4210

Synonyms: GYKI-52466 | LY303070
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 69.2
Molecular weight 293.12
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C
Isomeric SMILES Nc1ccc(cc1)C1=NN=C(Cc2c1cc1OCOc1c2)C
InChI InChI=1S/C17H15N3O2/c1-10-6-12-7-15-16(22-9-21-15)8-14(12)17(20-19-10)11-2-4-13(18)5-3-11/h2-5,7-8H,6,9,18H2,1H3
InChI Key LFBZZHVSGAHQPP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-{13-methyl-4,6-dioxa-11,12-diazatricyclo[7.5.0.0^{3,7}]tetradeca-1(9),2,7,10,12-pentaen-10-yl}aniline
Synonyms Click here for help
GYKI-52466 | LY303070
Database Links Click here for help
CAS Registry No. 102771-26-6 (source: Scifinder)
ChEMBL Ligand CHEMBL275006
GtoPdb PubChem SID 178101027
PubChem CID 3538
Search Google for chemical match using the InChIKey LFBZZHVSGAHQPP-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey LFBZZHVSGAHQPP-UHFFFAOYSA-N
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Wikipedia GYKI-52,466