LY 303511   Click here for help

GtoPdb Ligand ID: 6005

Synonyms: LY-303511 | LY303511
PDB Ligand
Compound class: Synthetic organic
Comment: LY 303511 is used as a negative control in the kinase screens referenced above.
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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 2
Topological polar surface area 45.48
Molecular weight 306.14
XLogP 4.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1
Isomeric SMILES O=c1cc(oc2c1cccc2c1ccccc1)N1CCNCC1
InChI InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChI Key NGAGMBNBKCDCDJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
8-phenyl-2-(piperazin-1-yl)-4H-chromen-4-one
Synonyms Click here for help
LY-303511 | LY303511
Database Links Click here for help
CAS Registry No. 154447-38-8
ChEMBL Ligand CHEMBL1363184
GtoPdb PubChem SID 178102627
PubChem CID 3971
RCSB PDB Ligand 8DQ
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Tocris
LY 303511
Cat. No. 2418