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Chemical structure of USP1-IN-2

GC70098

USP1-IN-2

Also known as 2-(3-fluoro-2-propan-2-ylphenyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one

USP1-IN-2 (Compound I-193) is an effective inhibitor of USP1 with an IC50 less than 50 nM

ChemicalCAS2098212-05-4MW510.49FormulaC26H22F4N6O
CAS number
2098212-05-4
Molecular weight
510.49
Formula
C26H22F4N6O
InChIKey
DCXQZTACMIBGMC-UHFFFAOYSA-N
Catalogue number
GC70098
Brand
GLPBIO
Computed properties PubChem CID 129140207 · XLogP 4.4 · TPSA 75.9 Ų · H-bond donors 1
XLogP
4.4
TPSA
75.9 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
37

SMILES CC(C)C1=C(C=CC=C1F)C2=NC=C3C(=N2)N(C(=O)N3)CC4=CC=C(C=C4)C5=NC(=CN5C)C(F)(F)F

Computed descriptors from PubChem (CID 129140207), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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