COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403051
Chemical Name: 2-(propan-2-yloxy)ethyl4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OCCOC(C)C

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Molecular Weight: 556.64
Empirical Formula: C28H32N2O8S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.592
Rotatable bonds: 11
H-donors: 2
H-acceptors: 8
PSA: 168
Number of rings: 4

     

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