COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331599
Chemical Name: 4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl2-oxo-2H-chromene-3-carboxylate
Smiles: CCOC(=O)/C(=C/c1ccc(c(c1)OC)OC(=O)c1cc2ccccc2oc1=O)/C#N

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Molecular Weight: 419.39
Empirical Formula: C23H17NO7

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 3.041
Rotatable bonds: 8
H-donors: 0
H-acceptors: 7
PSA: 111
Number of rings: 3

     

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