COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201373
Chemical Name: 4-[(5E)-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-4,6-dioxo-2-thioxotetrahydropyrimidin-1(2H)-yl]benzoicacid
Smiles: CCn1c(C)cc(c1C)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)C(=O)O

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Molecular Weight: 397.45
Empirical Formula: C20H19N3O4S

Physical State: Dry powder
Available Amount: 332 mg

Lipinsky:
logP: 3.376
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 3

     

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