COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535508
Chemical Name: hexyl2-({(E)-2-cyano-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(c(c1)C)C)\C#N

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Molecular Weight: 459.61
Empirical Formula: C27H29N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.027
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 3

     

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