COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL374938
Chemical Name: 2-({2-bromo-4-[(E)-{1-[4-(butan-2-yl)phenyl]-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}methyl)benzonitrile
Smiles: CCC(c1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)Br)OCc2ccccc2C#N)/C1=O)C

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Molecular Weight: 574.5
Empirical Formula: C29H24BrN3O3S

Physical State: Dry powder
Available Amount: 955 mg

Lipinsky:
logP: 6.796
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 114
Number of rings: 4

     

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