COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040007
Chemical Name: (5Z)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Smiles: SC1=NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2Br)[N+](=O)[O-])/C(=N1)O

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Molecular Weight: 422.22
Empirical Formula: C15H8BrN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.596
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 159
Number of rings: 3

     

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