COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549951
Chemical Name: (5E)-1-(3-chloro-4-methylphenyl)-5-[4-(dimethylamino)-3-nitrobenzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(c(c1)[N+](=O)[O-])N(C)C)c1ccc(c(c1)Cl)C

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Molecular Weight: 428.83
Empirical Formula: C20H17ClN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.169
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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