COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019857
Chemical Name: cyclohexyl4-(6-bromo-1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cc2OCOc2cc1Br)C(=O)OC1CCCCC1)C

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Molecular Weight: 594.5
Empirical Formula: C31H32BrNO6

Physical State: Dry powder
Available Amount: 266 mg

Lipinsky:
logP: 6.05
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 83
Number of rings: 6

     

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