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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H24FN5O2S
Molecular Weight 465.543
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T-401

SMILES

CC1=CC=NC(F)=C1C2=CC(=CC=C2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)C5=NC=CS5

InChI

InChIKey=BSDIMVPELJZNRU-LJQANCHMSA-N
InChI=1S/C24H24FN5O2S/c1-16-5-6-26-22(25)21(16)17-3-2-4-18(13-17)30-15-19(14-20(30)31)28-8-10-29(11-9-28)24(32)23-27-7-12-33-23/h2-7,12-13,19H,8-11,14-15H2,1H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H24FN5O2S
Molecular Weight 465.543
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
EBA93NTR7P
Record Status Validated (UNII)
Record Version