COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187899
Chemical Name: (5Z)-5-(4,5-dimethoxy-2-nitrobenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cc(OC)c(cc2[N+](=O)[O-])OC)/C1=O

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Molecular Weight: 457.46
Empirical Formula: C21H19N3O7S

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 3.55
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 155
Number of rings: 3

     

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