COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL360981
Chemical Name: 4-(4-bromophenyl)-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SC)nc2c(c1c1ccc(cc1)Br)C(=O)CC(C2)(C)C

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Molecular Weight: 401.33
Empirical Formula: C19H17BrN2OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.06
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 79
Number of rings: 3

     

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