COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432791
Chemical Name: ethyl4-[(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-3,5-dioxopyrazolidin-1-yl]benzoate
Smiles: CCOC(=O)c1ccc(cc1)N1NC(=O)/C(=C\c2ccc3c(c2)OCO3)/C1=O

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Molecular Weight: 380.36
Empirical Formula: C20H16N2O6

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 3.804
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 94
Number of rings: 4

     

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