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Details

Stereochemistry ACHIRAL
Molecular Formula C19H11ClF3N3O3
Molecular Weight 421.757
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zegocractin

SMILES

CC1=C(C(=O)NC2=NC=C(N=C2)C3=CC4=C(OC(F)(F)O4)C=C3Cl)C(F)=CC=C1

InChI

InChIKey=QQMKTHUGOQDEIL-UHFFFAOYSA-N
InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27)

HIDE SMILES / InChI

Molecular Formula C19H11ClF3N3O3
Molecular Weight 421.757
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
564AW1RR37
Record Status Validated (UNII)
Record Version