COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484768
Chemical Name: 4-[(5Z)-2,4,6-trioxo-5-[4-(prop-2-yn-1-yloxy)benzylidene]tetrahydropyrimidin-1(2H)-yl]benzoicacid
Smiles: C#CCOc1ccc(cc1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(=O)O

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Molecular Weight: 390.35
Empirical Formula: C21H14N2O6

Physical State: Dry powder
Available Amount: 453 mg

Lipinsky:
logP: 2.312
Rotatable bonds: 2
H-donors: 2
H-acceptors: 6
PSA: 113
Number of rings: 3

     

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