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Details

Stereochemistry ACHIRAL
Molecular Formula C17H19BrFNO2
Molecular Weight 368.241
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 25B-NBF

SMILES

COC1=CC(CCNCC2=C(F)C=CC=C2)=C(OC)C=C1Br

InChI

InChIKey=ATMBBMXJNIJRST-UHFFFAOYSA-N
InChI=1S/C17H19BrFNO2/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-15(13)19/h3-6,9-10,20H,7-8,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H19BrFNO2
Molecular Weight 368.241
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
8.57 null [pKi]
7.73 null [pKi]

PubMed

Substance Class Chemical
Record UNII
SSW3KY7SWW
Record Status Validated (UNII)
Record Version