COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL081471
Chemical Name: methyl3-{[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]methyl}-4-methoxybenzoate
Smiles: COc1ccc(cc1CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)OC)C(=O)OC

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Molecular Weight: 458.86
Empirical Formula: C21H19ClN4O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.934
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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