COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK612173
Chemical Name: (4E)-5-(4-bromophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione
Smiles: CN(CCN1C(c2ccc(cc2)Br)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O)C

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Molecular Weight: 487.35
Empirical Formula: C23H23BrN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.83
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 79
Number of rings: 4

     

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