COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL036680
Chemical Name: ethyl2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
Smiles: CCOC(=O)c1c(C)nc2c(c1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 382.42
Empirical Formula: C21H22N2O5

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 4.777
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 102
Number of rings: 3

     

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