COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL175723
Chemical Name: methyl4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=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: 510.1
Empirical Formula: C29H32ClNO3S

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 6.199
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 80
Number of rings: 4

     

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