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Details

Stereochemistry ABSOLUTE
Molecular Formula C7H8FN3O4
Molecular Weight 217.1545
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Fluorowillardiine, (S)-

SMILES

N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O

InChI

InChIKey=DBWPFHJYSTVBCZ-BYPYZUCNSA-N
InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1

HIDE SMILES / InChI

Molecular Formula C7H8FN3O4
Molecular Weight 217.1545
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
14.7 nM [Ki]
25.1 nM [Ki]
380.0 nM [EC50]
463.0 nM [EC50]
Substance Class Chemical
Record UNII
7CTR2LWV5M
Record Status Validated (UNII)
Record Version