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
ChemSpider
10131837
ChEMBL
CHEMBL1398499
Predicted Properties
PropertyValueSource
Water Solubility0.127 mg/mLALOGPS
logP3.46ALOGPS
logP3.41Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)15.95Chemaxon
pKa (Strongest Basic)-2.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area38.77 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity98.5 m3·mol-1Chemaxon
Polarizability32.77 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon