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Details

Stereochemistry RACEMIC
Molecular Formula C23H23ClN2O5S
Molecular Weight 474.957
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KI-16425

SMILES

CC(OC(=O)NC1=C(ON=C1C)C2=CC=C(CSCCC(O)=O)C=C2)C3=C(Cl)C=CC=C3

InChI

InChIKey=LLIFMNUXGDHTRO-UHFFFAOYSA-N
InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)

HIDE SMILES / InChI

Molecular Formula C23H23ClN2O5S
Molecular Weight 474.957
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
301.0 nM [IC50]
160.0 nM [IC50]
Substance Class Chemical
Record UNII
83W49JT69B
Record Status Validated (UNII)
Record Version