COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674272
Chemical Name: 2-{4-[(1E)-2-cyano-3-ethoxy-1-hydroxy-3-oxoprop-1-en-1-yl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylicacid
Smiles: CCOC(=O)/C(=C(\c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)O)/O)/C#N

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Molecular Weight: 406.35
Empirical Formula: C21H14N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.944
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 145
Number of rings: 3

     

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