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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10FN3O2S
Molecular Weight 279.29
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TPCA-1

SMILES

NC(=O)NC1=C(C=C(S1)C2=CC=C(F)C=C2)C(N)=O

InChI

InChIKey=SAYGKHKXGCPTLX-UHFFFAOYSA-N
InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)

HIDE SMILES / InChI

Molecular Formula C12H10FN3O2S
Molecular Weight 279.29
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
18.0 nM [IC50]
Substance Class Chemical
Record UNII
9M632G86CC
Record Status Validated (UNII)
Record Version