COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK980355
Chemical Name: (3Z)-3-[2-(azepan-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]-5-bromo-1-ethyl-1,3-dihydro-2H-indol-2-one
Smiles: CCN1C(=O)/C(=C/2\SC(=NC2=O)N2CCCCCC2)/c2c1ccc(c2)Br

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Molecular Weight: 434.36
Empirical Formula: C19H20BrN3O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.999
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 78
Number of rings: 4

     

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