COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185241
Chemical Name: (4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-ethoxy-6-iodophenoxy)aceticacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccc(c(c2)Cl)C)\C#N)cc(c1OCC(=O)O)I

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Molecular Weight: 540.74
Empirical Formula: C21H18ClIN2O5

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.245
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 2

     

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