COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL085404
Chemical Name: 2-[5-(3,5-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Smiles: CSc1cccc(c1)NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1cc(C)cc(c1)C

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Molecular Weight: 423.5
Empirical Formula: C21H21N5O3S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 2.728
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 119
Number of rings: 4

     

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