COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK406860
Chemical Name: 2-(ethylsulfanyl)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)OCCSCC

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Molecular Weight: 442.33
Empirical Formula: C18H20BrNO5S

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 4.435
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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