COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK059276
Chemical Name: 2-phenylethyl4-(2-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1ccccc1Br)C(=O)CC(C2)c1ccccc1)OCCc1ccccc1

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Molecular Weight: 542.47
Empirical Formula: C31H28BrNO3

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 6.272
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 5

     

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