COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK262998
Chemical Name: methyl9,9-dimethyl-6-(4-nitrophenyl)-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
Smiles: COC(=O)C1=C2C(=O)NCCN2C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 425.44
Empirical Formula: C22H23N3O6

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 1.004
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 4

     

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