COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021659
Chemical Name: (2E)-2-cyano-3-[4-(heptyloxy)phenyl]-N-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]prop-2-enamide
Smiles: CCCCCCCOc1ccc(cc1)/C=C(/C(=O)Nc1ncc(s1)Cc1cccc(c1)C)\C#N

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Molecular Weight: 473.64
Empirical Formula: C28H31N3O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 8.158
Rotatable bonds: 9
H-donors: 1
H-acceptors: 2
PSA: 103
Number of rings: 3

     

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