COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100757
Chemical Name: 3-{2-[(1E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-en-1-yl]-1H-pyrrol-1-yl}benzoicacid
Smiles: COCCOC(=O)/C(=C/c1cccn1c1cccc(c1)C(=O)O)/C#N

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Molecular Weight: 340.34
Empirical Formula: C18H16N2O5

Physical State: Dry powder
Available Amount: 220 mg

Lipinsky:
logP: 2.063
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 2

     

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