COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK207832
Chemical Name: 7,7-dimethyl-2-[(4-methylbenzyl)sulfanyl]-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1cc2C(=O)CC(Cc2nc1SCc1ccc(cc1)C)(C)C

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Molecular Weight: 336.46
Empirical Formula: C20H20N2OS

Physical State: Dry powder
Available Amount: 440 mg

Lipinsky:
logP: 5.023
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 79
Number of rings: 3

     

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