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Chemical structure of AU1235

GC32095

AU1235

Also known as 1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea

AU1235, an adamantyl urea, is a potent MmpL3 inhibitor

ChemicalCAS1338780-86-1MW324.34FormulaC17H19F3N2O
CAS number
1338780-86-1
Molecular weight
324.34
Formula
C17H19F3N2O
Solubility
DMSO ： 6 mg/mL (18·50 mM)
InChIKey
PYDHHHKUANVSJV-UHFFFAOYSA-N
Catalogue number
GC32095
Brand
GLPBIO
Computed properties PubChem CID 54752297 · XLogP 3.9 · TPSA 41.1 Ų · H-bond donors 2
XLogP
3.9
TPSA
41.1 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

SMILES C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=C(C(=C(C=C4)F)F)F

Computed descriptors from PubChem (CID 54752297), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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