COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902264
Chemical Name: methyl3-{[(1E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-yl]amino}-4,5-diethoxybenzoate
Smiles: CCOc1c(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(cc1OCC)C(=O)OC

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Molecular Weight: 413.43
Empirical Formula: C22H23NO7

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 92
Number of rings: 3

     

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