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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL98350
CHEMBL98350
Compound Name LY-294002
ChEMBL Synonyms LY-294002
Max Phase 0
Trade Names
Molecular Formula C19H17NO3

Additional synonyms for CHEMBL98350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
Standard InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15 ...
Download InChI
Standard InChI Key CZQHHVNHHHRRDU-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL98350

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
307.3 307.1208 3.34 2 38.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .55 3.15 3.15 2 23 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL98350. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CZQHHVNHHHRRDU-UHFFFAOYSA-N
PubChem SID: 103905473 SID: 11111398 SID: 11113937 SID: 124880604 SID: 124880606 SID: 124880607 SID: 26752090 SID: 26752091 SID: 525433 SID: 90341244
Wikipedia LY294002

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL98350



ACToR 154447-36-6
Atlas LY294002 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
BindingDB 12915
ChEBI 65329
DrugBank DB02656
eMolecules 1934392
EPA CompTox Dashboard DTXSID6042650
FDA SRS 31M2U1DVID
Guide to Pharmacology 6004
IBM Patent System 27E92359457E19E99221A59423A5D6DA
KEGG Ligand C15195
LINCS LSM-2597
MolPort MolPort-003-983-779
Nikkaji J615.849H
PDBe LY2
PubChem 3973
PubChem: Drugs of the Future 12014870
PubChem: Thomson Pharma 14800773
Selleck LY294002
SureChEMBL SCHEMBL94377
ZINC ZINC37858693

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CZQHHVNHHHRRDU-UHFFFAOYSA-N spacer
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