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Details

Stereochemistry ACHIRAL
Molecular Formula C17H10F3N5O3S
Molecular Weight 421.353
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CAFICRESTAT

SMILES

OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C4=C1N=CC=N4

InChI

InChIKey=YRGPAXAVTDMKDK-UHFFFAOYSA-N
InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C17H10F3N5O3S
Molecular Weight 421.353
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

Description

Aldose reductase-IN-1 is an inhibitor of aldose reductase

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
28.9 pM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
E8I3O45DDU
Record Status Validated (UNII)
Record Version