COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552732
Chemical Name: (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: COc1ccc(c(c1)N1C(=O)NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])OC)/C1=O)OC

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Molecular Weight: 427.37
Empirical Formula: C20H17N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.246
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 139
Number of rings: 3

     

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