COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK193117
Chemical Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Brc1ccc(c(c1)C)N1C(=S)NC(=O)/C(=C\C=C\c2ccccc2)/C1=O

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Molecular Weight: 427.32
Empirical Formula: C20H15BrN2O2S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.282
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 3

     

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