COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072585
Chemical Name: 1-[4-(4-bromophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Smiles: CCOc1ccc2c(c1)sc(n2)SCC(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccc(cc1)Br

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Molecular Weight: 581.6
Empirical Formula: C29H29BrN2O2S2

Physical State: Dry powder
Available Amount: 710 mg

Lipinsky:
logP: 9.405
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 5

     

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