COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK878556
Chemical Name: butyl4-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N/C=C(/c1scc(n1)c1ccc2c(c1)OCO2)\C#N

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Molecular Weight: 447.51
Empirical Formula: C24H21N3O4S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 6.219
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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