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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H26N6O2
Molecular Weight 442.5129
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XILIERTINIB

SMILES

COC1=C(NC(=O)N2C[C@H]3CCN(C)[C@H]3C2)C=C4C(NC5=CC=CC(=C5)C#C)=NC=NC4=C1

InChI

InChIKey=FSXCKIBROURMFT-VGSWGCGISA-N
InChI=1S/C25H26N6O2/c1-4-16-6-5-7-18(10-16)28-24-19-11-21(23(33-3)12-20(19)26-15-27-24)29-25(32)31-13-17-8-9-30(2)22(17)14-31/h1,5-7,10-12,15,17,22H,8-9,13-14H2,2-3H3,(H,29,32)(H,26,27,28)/t17-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H26N6O2
Molecular Weight 442.5129
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
6ZZ3B7NZ0B
Record Status Validated (UNII)
Record Version