COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL017020
Chemical Name: (2E)-2-cyano-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-3-[4-(hexyloxy)phenyl]prop-2-enamide
Smiles: CCCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(cc1)F)\C#N

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Molecular Weight: 463.58
Empirical Formula: C26H26FN3O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.218
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 3

     

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