COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383517
Chemical Name: 4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenyl4-methoxybenzoate
Smiles: CCOc1cc(cc(c1OC(=O)c1ccc(cc1)OC)Br)/C=C(/c1nc2c(s1)cccc2)\C#N

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Molecular Weight: 535.42
Empirical Formula: C26H19BrN2O4S

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 7.816
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 109
Number of rings: 4

     

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