COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323942
Chemical Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: C=CCSc1nc2CC(C)(C)CC(=O)c2c(c1C#N)c1ccc(cc1)Br

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Molecular Weight: 427.36
Empirical Formula: C21H19BrN2OS

Physical State: Dry powder
Available Amount: 253 mg

Lipinsky:
logP: 6.865
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 79
Number of rings: 3

     

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