COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020987
Chemical Name: methyl4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(c(c1)[N+](=O)[O-])O)C(=O)CC(C2)c1cccs1

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Molecular Weight: 470.5
Empirical Formula: C23H22N2O7S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 2.486
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 158
Number of rings: 4

     

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