COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902257
Chemical Name: methyl3-{[(1E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-yl]amino}benzoate
Smiles: COC(=O)c1cccc(c1)N/C=C/C(=O)c1ccc2c(c1)OCO2

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Molecular Weight: 325.32
Empirical Formula: C18H15NO5

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 2.653
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 3

     

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