COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK842918
Chemical Name: N-(3-butoxyphenyl)-2-{[3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Smiles: CCCCOc1cccc(c1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1cccs1

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Molecular Weight: 521.7
Empirical Formula: C28H31N3O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.848
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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