COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090140
Chemical Name: N-(4-bromophenyl)-2-[(3-cyano-4,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)sulfanyl]acetamide
Smiles: CC1C(=C(SCC(=O)Nc2ccc(cc2)Br)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 460.39
Empirical Formula: C21H22BrN3O2S

Physical State: Dry powder
Available Amount: 281 mg

Lipinsky:
logP: 4.052
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 107
Number of rings: 3

     

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