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Chemical structure of Icapamespib

GC63282

Icapamespib

Also known as 9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-6-amine

Icapamespib (PU-HZ151) is a potent HSP90 inhibitor with an EC50 of 5?nM

ChemicalCAS1000999-96-1MW526.39FormulaC19H23IN6O2S
CAS number
1000999-96-1
Molecular weight
526.39
Formula
C19H23IN6O2S
InChIKey
UYODNJZBUUEXPC-UHFFFAOYSA-N
Catalogue number
GC63282
Brand
GLPBIO
Computed properties PubChem CID 68185467 · XLogP 3.8 · TPSA 125 Ų · H-bond donors 2
XLogP
3.8
TPSA
125 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
29

SMILES CC(C)(C)CNCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N

Computed descriptors from PubChem (CID 68185467), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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