COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK406357
Chemical Name: 4-methylbenzyl4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Smiles: O=C1NC(=C(C(C1)c1cc2OCOc2cc1Br)C(=O)OCc1ccc(cc1)C)C

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Molecular Weight: 458.31
Empirical Formula: C22H20BrNO5

Physical State: Dry powder
Available Amount: 165 mg

Lipinsky:
logP: 4.977
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 4

     

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