COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192583
Chemical Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-(4,5-dimethoxy-2-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc([N+](=O)[O-])c(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1C)Br

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Molecular Weight: 506.33
Empirical Formula: C20H16BrN3O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.335
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 145
Number of rings: 3

     

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