COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046860
Chemical Name: (2Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[5-methyl-2-(propan-2-yl)phenoxy]but-2-enenitrile
Smiles: N#C/C(=C(\COc1cc(C)ccc1C(C)C)/O)/c1nc2c([nH]1)cccc2

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Molecular Weight: 347.42
Empirical Formula: C21H21N3O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.189
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 81
Number of rings: 3

     

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