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Chemical structure of USP7-IN-7

GC70101

USP7-IN-7

Also known as 3-[[7-[5-chloro-3-methyl-2-[[(2R)-morpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

USP7-IN-7 (compound 124) is a USP7 inhibitor with an IC50 value of

ChemicalCAS2413944-70-2MW510.05FormulaC27H28ClN3O3S
CAS number
2413944-70-2
Molecular weight
510.05
Formula
C27H28ClN3O3S
Solubility
DMSO ： 75 mg/mL (147·04 mM; ultrasonic and warming and heat to 60°C)
InChIKey
DUAGQCVAGBJSHT-ZUTUBDCJSA-N
Catalogue number
GC70101
Brand
GLPBIO
Computed properties PubChem CID 146445055 · XLogP 3.9 · TPSA 99.8 Ų · H-bond donors 1
XLogP
3.9
TPSA
99.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

SMILES CC1=CC(=CC(=C1C[C@@H]2CNCCO2)C3=C4C(=NC=C3)C=C(S4)CN5C(=O)C6C(C5=O)C6(C)C)Cl

Computed descriptors from PubChem (CID 146445055), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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