COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086585
Chemical Name: (5E)-1-(3-chloro-2-methylphenyl)-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cc(ccc1O)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl

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Molecular Weight: 416.88
Empirical Formula: C20H17ClN2O4S

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 4.071
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 3

     

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