COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373625
Chemical Name: pentyl4-(4,5-dimethoxy-2-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)C(=O)CCC2

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Molecular Weight: 458.51
Empirical Formula: C24H30N2O7

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 3.706
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 3

     

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