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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H27FN2O3
Molecular Weight 362.4384
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-FLUORO-AMB-PICA

SMILES

COC(=O)[C@@H](NC(=O)C1=CN(CCCCCF)C2=CC=CC=C12)C(C)C

InChI

InChIKey=JFXASAFVUQVGEW-SFHVURJKSA-N
InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H27FN2O3
Molecular Weight 362.4384
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
8.34 null [pEC50]
8.62 null [pEC50]
Substance Class Chemical
Record UNII
744M0WHE80
Record Status Validated (UNII)
Record Version