COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431205
Chemical Name: (4Z)-1-(4-bromophenyl)-4-[2-(dimethylamino)-5-nitrobenzylidene]pyrazolidine-3,5-dione
Smiles: Brc1ccc(cc1)N1NC(=O)/C(=C/c2cc(ccc2N(C)C)[N+](=O)[O-])/C1=O

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Molecular Weight: 431.25
Empirical Formula: C18H15BrN4O4

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 4.505
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 3

     

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