COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK804000
Chemical Name: (2E)-3-[(4-butoxyphenyl)amino]-2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1)N/C=C(/c1scc(n1)c1ccc(c(c1)OC)OCC)\C#N

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Molecular Weight: 449.57
Empirical Formula: C25H27N3O3S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 5.914
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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