COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK836649
Chemical Name: (2E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-ethoxyphenyl)amino]but-2-en-1-one
Smiles: CCOc1ccc(cc1)N/C(=C/C(=O)c1ccc2c(c1)OCCO2)/C

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Molecular Weight: 339.39
Empirical Formula: C20H21NO4

Physical State: Dry powder
Available Amount: 264 mg

Lipinsky:
logP: 4.113
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 56
Number of rings: 3

     

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