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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H24FN3O3
Molecular Weight 421.4641
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-071

SMILES

CC1=C(F)C2=C(C=C1CC3=CC=C(C=C3)N4C=CC=N4)C(=O)N(C2)[C@H]5COCC[C@@H]5O

InChI

InChIKey=WFSARWQASFQZMG-VXKWHMMOSA-N
InChI=1S/C24H24FN3O3/c1-15-17(11-16-3-5-18(6-4-16)28-9-2-8-26-28)12-19-20(23(15)25)13-27(24(19)30)21-14-31-10-7-22(21)29/h2-6,8-9,12,21-22,29H,7,10-11,13-14H2,1H3/t21-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H24FN3O3
Molecular Weight 421.4641
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
59XC9G796Y
Record Status Validated (UNII)
Record Version