COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431722
Chemical Name: (4Z)-1-(4-bromophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazolidine-3,5-dione
Smiles: Brc1ccc(cc1)N1NC(=O)/C(=C/c2cc3OCOc3cc2[N+](=O)[O-])/C1=O

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Molecular Weight: 432.19
Empirical Formula: C17H10BrN3O6

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 4.025
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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