COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK403760
Chemical Name: 2,7,7-trimethyl-4-(3-nitrophenyl)-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Smiles: CC1=C(C(=O)N2CCCCC2)C(C2=C(N1)CC(C)(C)CC2=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 423.51
Empirical Formula: C24H29N3O4

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 2.97
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 95
Number of rings: 4

     

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