COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021680
Chemical Name: (2E)-2-cyano-3-[4-(hexyloxy)-3-methoxyphenyl]-N-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]prop-2-enamide
Smiles: CCCCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(cc1)C)\C#N

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Molecular Weight: 489.64
Empirical Formula: C28H31N3O3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 7.508
Rotatable bonds: 10
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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