COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039520
Chemical Name: (2Z,4E)-2-(1H-benzimidazol-2-yl)-5-(3,4-dimethoxyphenyl)-3-hydroxypenta-2,4-dienenitrile
Smiles: COc1cc(/C=C/C(=C(/c2nc3c([nH]2)cccc3)\C#N)/O)ccc1OC

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Molecular Weight: 347.37
Empirical Formula: C20H17N3O3

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 3.306
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 3

     

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