U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21FN6O
Molecular Weight 380.4187
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELITRECTINIB

SMILES

C[C@@H]1CCC2=NC=C(F)C=C2[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1

InChI

InChIKey=OEBIHOVSAMBXIB-SJKOYZFVSA-N
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H21FN6O
Molecular Weight 380.4187
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
0J45910S3X
Record Status Validated (UNII)
Record Version