COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL017053
Chemical Name: (2E)-3-(4-butoxy-3-methoxyphenyl)-N-[5-(3-chloro-4-methylbenzyl)-1,3-thiazol-2-yl]-2-cyanoprop-2-enamide
Smiles: CCCCOc1ccc(cc1OC)/C=C(/C(=O)Nc1ncc(s1)Cc1ccc(c(c1)Cl)C)\C#N

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Molecular Weight: 496.03
Empirical Formula: C26H26ClN3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.04
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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