COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK902263
Chemical Name: dimethyl5-{[(1E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-1-yl]amino}benzene-1,3-dicarboxylate
Smiles: COC(=O)c1cc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc(c1)C(=O)OC

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Molecular Weight: 383.36
Empirical Formula: C20H17NO7

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 3.255
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 100
Number of rings: 3

     

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