COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324620
Chemical Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: C=CCC1(C#N)C(=NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)SCC(=O)c1ccccc1

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Molecular Weight: 547.52
Empirical Formula: C29H27BrN2O2S

Available Amount: 0 mg

Lipinsky:
logP: 7.386
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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