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Details

Stereochemistry ACHIRAL
Molecular Formula C20H18FN5O3
Molecular Weight 395.387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ifidancitinib

SMILES

COC1=C(F)C(C)=CC(NC2=NC=C(C)C(NC3=CC4=C(OC(=O)N4)C=C3)=N2)=C1

InChI

InChIKey=OYFMQDVLFYKOPZ-UHFFFAOYSA-N
InChI=1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)

HIDE SMILES / InChI

Molecular Formula C20H18FN5O3
Molecular Weight 395.387
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

Substance Class Chemical
Record UNII
R105E71J13
Record Status Validated (UNII)
Record Version