COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK191822
Chemical Name: 4-({2-bromo-4-[(E)-{4,6-dioxo-1-[4-(propan-2-yl)phenyl]-2-thioxotetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}methyl)benzoicacid
Smiles: CC(c1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2ccc(cc2)C(=O)O)/C1=O)C

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Molecular Weight: 579.47
Empirical Formula: C28H23BrN2O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.505
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 4

     

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