COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192663
Chemical Name: (5Z)-1-(3-bromophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2cccc(c2)Br)cc(c1O)[N+](=O)[O-]

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Molecular Weight: 478.28
Empirical Formula: C18H12BrN3O6S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 3.958
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 156
Number of rings: 3

     

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