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Chemical structure of SMIFH2

GC12298

SMIFH2

Also known as (5E)-1-(3-bromophenyl)-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

formin homology 2 (FH2) domains inhibitor

ChemicalCAS340316-62-3MW377.21FormulaC15H9BrN2O3S
CAS number
340316-62-3
Molecular weight
377.21
Formula
C15H9BrN2O3S
Solubility
＜37·72mg/ml in DMSO
InChIKey
MVFJHEQDISFYIS-XYOKQWHBSA-N
Catalogue number
GC12298
Brand
GLPBIO
Computed properties PubChem CID 2258538 · XLogP 3.1 · TPSA 94.6 Ų · H-bond donors 1
XLogP
3.1
TPSA
94.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

SMILES C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S

Computed descriptors from PubChem (CID 2258538), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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