COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL081355
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Smiles: O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)F)F)Nc1ccc2c(c1)OCO2

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Molecular Weight: 429.34
Empirical Formula: C19H13F2N5O5

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 0.971
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 112
Number of rings: 5

     

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