COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192686
Chemical Name: (5Z)-1-(4-bromophenyl)-5-[4-(prop-2-yn-1-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C#CCOc1ccc(cc1)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Br

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Molecular Weight: 441.3
Empirical Formula: C20H13BrN2O3S

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 4.011
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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