COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225064
Chemical Name: (6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C/c3ccc(o3)Br)/C2=N)s1

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Molecular Weight: 475.32
Empirical Formula: C19H15BrN4O4S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.982
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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