COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432498
Chemical Name: methyl4-{(4Z)-4-[3-bromo-4-(dimethylamino)benzylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
Smiles: COC(=O)c1ccc(cc1)N1NC(=O)/C(=C/c2ccc(c(c2)Br)N(C)C)/C1=O

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Molecular Weight: 444.28
Empirical Formula: C20H18BrN3O4

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 4.85
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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