COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416453
Chemical Name: (5E)-5-[(1-tert-butyl-1H-pyrrol-2-yl)methylidene]-1-(4-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cccn2C(C)(C)C)/C1=O

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Molecular Weight: 381.5
Empirical Formula: C21H23N3O2S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 4.467
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 3

     

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