COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK047607
Chemical Name: butyl4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)(C)C

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Molecular Weight: 492.41
Empirical Formula: C24H30BrNO5

Physical State: Dry powder
Available Amount: 552 mg

Lipinsky:
logP: 4.347
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 3

     

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