COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK189453
Chemical Name: (5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cc2OCOc2cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl

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Molecular Weight: 444.9
Empirical Formula: C21H17ClN2O5S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 4.968
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 109
Number of rings: 4

     

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