COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL081338
Chemical Name: ethyl3-({[5-(3-chloro-4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Smiles: CCOC(=O)c1cccc(c1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)OC

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Molecular Weight: 485.88
Empirical Formula: C22H20ClN5O6

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 2.455
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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