COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447249
Chemical Name: 5-(3,4-dimethylphenyl)-1-hydroxy-6-methyl-3-thioxo-3,5-dihydro-4H-pyrrolo[3,4-c]pyridin-4-one
Smiles: OC1=NC(=S)c2c1cc(C)n(c2=O)c1ccc(c(c1)C)C

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Molecular Weight: 298.37
Empirical Formula: C16H14N2O2S

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 2.13
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 84
Number of rings: 3

     

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