COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL175725
Chemical Name: ethyl4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCOC(=O)C1=C(C)NC2=C(C1c1cc(CSc3ccc(cc3)Cl)c(cc1C)C)C(=O)CC(C2)(C)C

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Molecular Weight: 524.12
Empirical Formula: C30H34ClNO3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.73
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 4

     

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