COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080426
Chemical Name: cyclopentyl2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCC1

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Molecular Weight: 397.54
Empirical Formula: C23H27NO3S

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 3.625
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 4

     

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