COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK402520
Chemical Name: 2-(ethylsulfanyl)ethyl7-(4-methoxyphenyl)-2-methyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccc(cc1)OC

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Molecular Weight: 522.62
Empirical Formula: C28H30N2O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.348
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 135
Number of rings: 4

     

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