COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002041
Chemical Name: 2-(ethylsulfanyl)ethyl4-(2-bromo-4,5-dimethoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)C(=O)CC(C2)c1ccc(cc1)Cl

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Molecular Weight: 620.99
Empirical Formula: C29H31BrClNO5S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 6.187
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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