COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL383505
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{4-[(4-bromobenzyl)oxy]-3-ethoxyphenyl}prop-2-enenitrile
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)Br)/C=C(/c1nc2c(s1)cccc2)\C#N

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Molecular Weight: 491.41
Empirical Formula: C25H19BrN2O2S

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 7.575
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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