COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK084177
Chemical Name: 2-(ethylsulfanyl)ethyl4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 457.59
Empirical Formula: C25H31NO5S

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 4.049
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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