COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK371163
Chemical Name: butyl2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 412.49
Empirical Formula: C23H28N2O5

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 4
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 3

     

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