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Chemical structure of FAP-IN-2

GC71571

FAP-IN-2

Also known as N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-6-(3-piperazin-1-ylpropoxy)quinoline-4-carboxamide

FAP-IN-2 is a derivative of 99mTc-labeled isonitrile-containing fibroblast activation protein (FAPI) inhibitor, that can be used for tumor imaging

ChemicalCAS2471983-20-5MW486.51FormulaC24H28F2N6O3
CAS number
2471983-20-5
Molecular weight
486.51
Formula
C24H28F2N6O3
InChIKey
ZXFWGSFSRPLSRU-KRWDZBQOSA-N
Catalogue number
GC71571
Brand
GLPBIO
Computed properties PubChem CID 155487468 · XLogP 1.3 · TPSA 111 Ų · H-bond donors 2
XLogP
1.3
TPSA
111 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
35

SMILES C1CN(CCN1)CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(C[C@H]4C#N)(F)F

Computed descriptors from PubChem (CID 155487468), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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