COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021400
Chemical Name: ethyl(5E)-2-methyl-5-[4-(methylsulfanyl)benzylidene]-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Smiles: CCOC(=O)C1=C(C)N/C(=C/c2ccc(cc2)SC)/C1=O

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Molecular Weight: 303.38
Empirical Formula: C16H17NO3S

Physical State: Dry powder
Available Amount: 39 mg

Lipinsky:
logP: 2.312
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 2

     

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