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Details

Stereochemistry RACEMIC
Molecular Formula C20H19F6NO
Molecular Weight 403.3614
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-733060, (±)-

SMILES

FC(F)(F)C1=CC(=CC(CO[C@H]2CCCN[C@H]2C3=CC=CC=C3)=C1)C(F)(F)F

InChI

InChIKey=FCDRFVCGMLUYPG-ROUUACIJSA-N
InChI=1S/C20H19F6NO/c21-19(22,23)15-9-13(10-16(11-15)20(24,25)26)12-28-17-7-4-8-27-18(17)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,27H,4,7-8,12H2/t17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H19F6NO
Molecular Weight 403.3614
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.87 nM [IC50]
Substance Class Chemical
Record UNII
62GFZ49F3X
Record Status Validated (UNII)
Record Version