COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK364176
Chemical Name: 2-(ethylsulfanyl)ethyl4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(ccc1Cl)[N+](=O)[O-])C(=O)CCC2

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Molecular Weight: 450.94
Empirical Formula: C21H23ClN2O5S

Physical State: Dry powder
Available Amount: 283 mg

Lipinsky:
logP: 3.419
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 3

     

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