LY-294002 hydrochlorideProduct ingredient for LY-294002
- Name
- LY-294002 hydrochloride
- Drug Entry
- LY-294002
Specific inhibitor of phosphatidylinositol 3-kinase.
- Accession Number
- DBSALT002566
- Structure
- Synonyms
- LY-294002 HCl
- UNII
- Not Available
- CAS Number
- Not Available
- Weight
- Average: 343.81
Monoisotopic: 343.0975211 - Chemical Formula
- C19H18ClNO3
- InChI Key
- OQZQSRICUOWBLW-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H17NO3.ClH/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14;/h1-8,13H,9-12H2;1H
- IUPAC Name
- 2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one hydrochloride
- SMILES
- Cl.O=C1C=C(OC2=C(C=CC=C12)C1=CC=CC=C1)N1CCOCC1
- External Links
- ChemSpider
- 10131837
- ChEMBL
- CHEMBL1398499
- Predicted Properties
Property Value Source Water Solubility 0.127 mg/mL ALOGPS logP 3.46 ALOGPS logP 3.41 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 15.95 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 38.77 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 98.5 m3·mol-1 Chemaxon Polarizability 32.77 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon