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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24ClF4N7O2
Molecular Weight 529.918
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VECABRUTINIB

SMILES

NC(=O)[C@H]1CCN(C[C@@H]1N2CCC[C@@H](NC3=CC(=CC(Cl)=C3)C(F)(F)F)C2=O)C4=C(F)C(N)=NC=N4

InChI

InChIKey=QLRRJMOBVVGXEJ-XHSDSOJGSA-N
InChI=1S/C22H24ClF4N7O2/c23-12-6-11(22(25,26)27)7-13(8-12)32-15-2-1-4-34(21(15)36)16-9-33(5-3-14(16)19(29)35)20-17(24)18(28)30-10-31-20/h6-8,10,14-16,32H,1-5,9H2,(H2,29,35)(H2,28,30,31)/t14-,15+,16-/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary TargetPharmacologyConditionPotency