COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL081325
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Smiles: COc1ccc(cc1Cl)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1ccc2c(c1)OCO2

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Molecular Weight: 457.83
Empirical Formula: C20H16ClN5O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.751
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 122
Number of rings: 5

     

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