COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL081401
Chemical Name: 2-[5-(3,4-dimethoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Smiles: COc1cc(ccc1OC)N1C(=O)C2C(C1=O)N=NN2CC(=O)Nc1cccc(c1)SC

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Molecular Weight: 455.49
Empirical Formula: C21H21N5O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 1.545
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 138
Number of rings: 4

     

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