COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL360980
Chemical Name: 4-(4-bromophenyl)-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)Br

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Molecular Weight: 403.34
Empirical Formula: C19H19BrN2OS

Available Amount: 0 mg

Lipinsky:
logP: 3.706
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 78
Number of rings: 3

     

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