COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK197151
Chemical Name: 2-{[4-(3-{(E)-[1-(4-chlorophenyl)-3-ethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]methyl}benzonitrile
Smiles: CCN1C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)OCc2ccccc2C#N)C)/C(=O)N(C1=S)c1ccc(cc1)Cl

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Molecular Weight: 595.12
Empirical Formula: C33H27ClN4O3S

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 6.934
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 110
Number of rings: 5

     

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