COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK372305
Chemical Name: 2-methoxyethyl2,7,7-trimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 414.46
Empirical Formula: C22H26N2O6

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 2.103
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 110
Number of rings: 3

     

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