COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383511
Chemical Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenylbenzoate
Smiles: CCOc1cc(cc(c1OC(=O)c1ccccc1)Br)/C=C(/c1nc2c(s1)cccc2)\C#N

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Molecular Weight: 505.39
Empirical Formula: C25H17BrN2O3S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 7.649
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 4

     

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