COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK067734
Chemical Name: butyl4-(6-bromo-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CCC2

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Molecular Weight: 462.34
Empirical Formula: C22H24BrNO5

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 4.004
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 4

     

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