COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK406386
Chemical Name: 2-(methylsulfanyl)ethyl4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Smiles: CC1=C(C(CC(=O)N1)c1cc2OCOc2cc1Br)C(=O)OCCSC

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Molecular Weight: 428.3
Empirical Formula: C17H18BrNO5S

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 3.903
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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