COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187831
Chemical Name: 2-({4-[bis(1,3-dimethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl)methyl]-2-chloro-6-ethoxyphenoxy}methyl)benzonitrile
Smiles: CCOc1cc(cc(c1OCc1ccccc1C#N)Cl)C(C1C(=O)N(C)C(=S)N(C1=O)C)C1C(=O)N(C)C(=S)N(C1=O)C

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Saltdata: HCl
Molecular Weight: 642.16
Empirical Formula: C29H28ClN5O6S2

Physical State: Dry powder
Available Amount: 143 mg

Lipinsky:
logP: 1.617
Rotatable bonds: 8
H-donors: 0
H-acceptors: 6
PSA: 187
Number of rings: 4

     

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