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Details

Stereochemistry ACHIRAL
Molecular Formula C26H28FN5O
Molecular Weight 445.5318
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of XL-999

SMILES

CCN1CCC(CC1)NC2=CC3=C(NC(=O)\C3=C(/C4=NC(C)=CN4)C5=CC=CC(F)=C5)C=C2

InChI

InChIKey=DMQYDVBIPXAAJA-VHXPQNKSSA-N
InChI=1S/C26H28FN5O/c1-3-32-11-9-19(10-12-32)30-20-7-8-22-21(14-20)24(26(33)31-22)23(25-28-15-16(2)29-25)17-5-4-6-18(27)13-17/h4-8,13-15,19,30H,3,9-12H2,1-2H3,(H,28,29)(H,31,33)/b24-23-

HIDE SMILES / InChI

Molecular Formula C26H28FN5O
Molecular Weight 445.5318
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
6I7PLF6N8L
Record Status Validated (UNII)
Record Version