COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432799
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)prop-2-enenitrile
Smiles: COc1cc(Br)cc(c1O)/C=C(/c1nc2c([nH]1)cccc2)\C#N

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Molecular Weight: 370.21
Empirical Formula: C17H12BrN3O2

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.929
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 81
Number of rings: 3

     

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