COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045363
Chemical Name: 4-methoxybenzyl2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)(C)C

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Molecular Weight: 477.62
Empirical Formula: C28H31NO4S

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 4.554
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 89
Number of rings: 4

     

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