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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13NO3
Molecular Weight 267.2793
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-98059

SMILES

COC1=C(N)C(=CC=C1)C2=CC(=O)C3=C(O2)C=CC=C3

InChI

InChIKey=QFWCYNPOPKQOKV-UHFFFAOYSA-N
InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H13NO3
Molecular Weight 267.2793
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.0 µM [IC50]
2.8 µM [IC50]
Substance Class Chemical
Record UNII
SJE1IO5E3I
Record Status Validated (UNII)
Record Version