COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536523
Chemical Name: hexyl2-({(E)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Smiles: CCCCCCOC(=O)c1ccccc1N/C=C(/c1scc(n1)c1ccc(c(c1)OC)OC)\C#N

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Molecular Weight: 491.61
Empirical Formula: C27H29N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.594
Rotatable bonds: 11
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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