COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187723
Chemical Name: 2-({4-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-methoxyphenoxy}methyl)benzonitrile
Smiles: COc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)N(C)C(=S)N(C1=O)C

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Molecular Weight: 421.48
Empirical Formula: C22H19N3O4S

Physical State: Dry powder
Available Amount: 231 mg

Lipinsky:
logP: 2.186
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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