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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H24F2N6O
Molecular Weight 438.4731
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Boditrectinib

SMILES

FC1=CC=C(F)C(=C1)[C@H]2CCCN2C3=NC4=C(C=NN4C=C3)\C=C\C(=O)N5CCNCC5

InChI

InChIKey=BQFYCHBYISNPFW-SQZHUTIHSA-N
InChI=1S/C23H24F2N6O/c24-17-4-5-19(25)18(14-17)20-2-1-10-30(20)21-7-11-31-23(28-21)16(15-27-31)3-6-22(32)29-12-8-26-9-13-29/h3-7,11,14-15,20,26H,1-2,8-10,12-13H2/b6-3+/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H24F2N6O
Molecular Weight 438.4731
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M359MC7QGE
Record Status Validated (UNII)
Record Version