COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536178
Chemical Name: hexyl2-{[(E)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]amino}benzoate
Smiles: CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(cc1)CC(C)C)\C#N

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Molecular Weight: 487.67
Empirical Formula: C29H33N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.977
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 3

     

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