COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK089627
Chemical Name: (5E)-5-(2-bromo-4-hydroxy-5-methoxybenzylidene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(OC)c(cc2Br)O)/C1=O

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Molecular Weight: 463.31
Empirical Formula: C19H15BrN2O5S

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 3.808
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 3

     

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