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Chemical structure of PROTAC MLKL Degrader-1

GC75613

PROTAC MLKL Degrader-1

Also known as 5-[4-(difluoromethylsulfonylamino)phenyl]-3-[3-[8-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-8-oxooctoxy]anilino]-1H-pyrazole-4-carboxamide

PROTAC MLKL Degrader-1 (Compound 36) is a PROTAC degrader of MLKL, with a Dmax ＞90%

ChemicalCAS3032600-90-8MW948.05FormulaC46H55F2N9O9S
CAS number
3032600-90-8
Molecular weight
948.05
Formula
C46H55F2N9O9S
InChIKey
XDPRKJSOJYMCMZ-UHFFFAOYSA-N
Catalogue number
GC75613
Brand
GLPBIO
Computed properties PubChem CID 168476062 · XLogP 5.5 · TPSA 247 Ų · H-bond donors 5
XLogP
5.5
TPSA
247 Ų
H-bond donors
5
H-bond acceptors
14
Rotatable bonds
19
Heavy atoms
67

SMILES COC1=C(C=C(C=C1)C(=O)N2CCC3(CCN(CC3)C(=O)CCCCCCCOC4=CC=CC(=C4)NC5=NNC(=C5C(=O)N)C6=CC=C(C=C6)NS(=O)(=O)C(F)F)CC2)N7CCC(=O)NC7=O

Computed descriptors from PubChem (CID 168476062), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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