COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403780
Chemical Name: 4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2,7,7-trimethyl-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Smiles: COc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)N1CCCCC1

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Molecular Weight: 469.54
Empirical Formula: C25H31N3O6

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 2.739
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 124
Number of rings: 4

     

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