COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK404070
Chemical Name: ethyl4-(4-bromo-2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1OC)Br)C(=O)CC(C2)(C)C

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Molecular Weight: 478.38
Empirical Formula: C23H28BrNO5

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.78
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 3

     

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