COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004176
Chemical Name: tetrahydrofuran-2-ylmethyl2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCC1CCCO1

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Molecular Weight: 539.65
Empirical Formula: C29H33NO7S

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 2.46
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 120
Number of rings: 5

     

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