COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431017
Chemical Name: (4Z)-1-(4-bromophenyl)-4-(4-methyl-3-nitrobenzylidene)pyrazolidine-3,5-dione
Smiles: Brc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(c(c2)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 402.2
Empirical Formula: C17H12BrN3O4

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 4.306
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 3

     

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