COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK407502
Chemical Name: 3-[2-(ethylsulfanyl)ethyl]6-methyl2,7-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)C(C(C2)C)C(=O)OC

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Molecular Weight: 532.57
Empirical Formula: C25H28N2O9S

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 3.519
Rotatable bonds: 9
H-donors: 1
H-acceptors: 9
PSA: 171
Number of rings: 4

     

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