COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886405
Chemical Name: 2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Smiles: CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)OC

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Molecular Weight: 517.65
Empirical Formula: C29H31N3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.866
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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