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Chemical structure of Antitumor agent-81

GC73363

Antitumor agent-81

Also known as 6-[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]quinazoline-2,4-diamine

Antitumor agent-81 (compound 5a) is a low cytotoxicity P62-RNF168 agonist that enhances the interaction between P62 and RNF168

ChemicalCAS2765180-17-2MW393.4FormulaC19H19N7O3
CAS number
2765180-17-2
Molecular weight
393.4
Formula
C19H19N7O3
Solubility
DMSO ： ≥ 60 mg/mL (152·52 mM)
InChIKey
SWULRQWLALOGFO-UHFFFAOYSA-N
Catalogue number
GC73363
Brand
GLPBIO
Computed properties PubChem CID 163214076 · XLogP 1.8 · TPSA 136 Ų · H-bond donors 2
XLogP
1.8
TPSA
136 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
29

SMILES COC1=CC(=CC(=C1OC)OC)N2C=C(N=N2)C3=CC4=C(C=C3)N=C(N=C4N)N

Computed descriptors from PubChem (CID 163214076), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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