COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK058073
Chemical Name: 2-methoxyethyl4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Br)C(=O)CC(C2)(C)C

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Molecular Weight: 492.37
Empirical Formula: C23H26BrNO6

Physical State: Dry powder
Available Amount: 126 mg

Lipinsky:
logP: 3.139
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 83
Number of rings: 4

     

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