COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012732
Chemical Name: 2-({(2E)-3-[3-chloro-5-ethoxy-4-(2-methoxy-2-oxoethoxy)phenyl]-2-cyanoprop-2-enoyl}amino)benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccccc2C(=O)O)\C#N)cc(c1OCC(=O)OC)Cl

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Molecular Weight: 458.85
Empirical Formula: C22H19ClN2O7

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 4.602
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 134
Number of rings: 2

     

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