COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036557
Chemical Name: 4-methoxybenzyl4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 540.45
Empirical Formula: C28H30BrNO5

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 4.555
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 4

     

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