COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK948956
Chemical Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylthiourea
Smiles: CNC(=S)N(C1CC(=O)N(C1=O)c1ccc(cc1)I)CCc1ccc(c(c1)OC)OC

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Molecular Weight: 553.42
Empirical Formula: C22H24IN3O4S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 2.488
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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