COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK190068
Chemical Name: (5E)-5-[(1-{4-[(4-bromobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Brc1ccc(cc1)COc1ccc(cc1)n1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)C

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Molecular Weight: 524.44
Empirical Formula: C25H22BrN3O3S

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 5.628
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 4

     

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