COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004618
Chemical Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(2,2,4-trimethyl-6-tritylquinolin-1(2H)-yl)ethanone
Smiles: CCOc1ccc2c(c1)sc(n2)SCC(=O)N1c2ccc(cc2C(=CC1(C)C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1

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Molecular Weight: 666.91
Empirical Formula: C42H38N2O2S2

Physical State: Dry powder
Available Amount: 459 mg

Lipinsky:
logP: 12.16
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 95
Number of rings: 7

     

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