COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK331929
Chemical Name: 2-{4-[(1Z)-2-cyano-3-ethoxy-1-hydroxy-3-oxoprop-1-en-1-yl]phenyl}-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylicacid
Smiles: CCOC(=O)/C(=C(/c1ccc(cc1)C1C(=O)c2c(C1=O)cc(cc2)C(=O)O)\O)/C#N

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Molecular Weight: 405.36
Empirical Formula: C22H15NO7

Physical State: Dry powder
Available Amount: 7 mg

Lipinsky:
logP: 3.33
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 141
Number of rings: 3

     

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