COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403804
Chemical Name: 2,7,7-trimethyl-3-(morpholin-4-ylcarbonyl)-4-(4-nitrophenyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Smiles: CC1=C(C(=O)N2CCOCC2)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 425.48
Empirical Formula: C23H27N3O5

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 1.424
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 4

     

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