COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK038882
Chemical Name: 2-methoxyethyl2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C

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Molecular Weight: 375.49
Empirical Formula: C20H25NO4S

Physical State: Dry powder
Available Amount: 542 mg

Lipinsky:
logP: 2.051
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 92
Number of rings: 3

     

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