COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK129655
Chemical Name: (5E)-1-(3-chloro-4-fluorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)N(C(=O)/C/1=C/c1cc(n(c1C)C1CCCCC1)C)c1ccc(c(c1)Cl)F

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Molecular Weight: 459.97
Empirical Formula: C23H23ClFN3O2S

Physical State: Dry powder
Available Amount: 370 mg

Lipinsky:
logP: 5.984
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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