COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK686766
Chemical Name: ethyl1-(4-methylphenyl)-4-(3-nitrophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Smiles: CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccc(cc1)C)C(=O)CC2c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 530.6
Empirical Formula: C29H26N2O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.442
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 137
Number of rings: 5

     

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