COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170704
Chemical Name: (4Z)-4-(2-bromo-4,5-dimethoxybenzylidene)-1-(4-iodophenyl)pyrazolidine-3,5-dione
Smiles: COc1cc(Br)c(cc1OC)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)I

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Molecular Weight: 529.13
Empirical Formula: C18H14BrIN2O4

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 5.184
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 3

     

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