COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522697
Chemical Name: 3-{[(2E)-3-{3-bromo-5-ethoxy-4-[(naphthalen-1-ylcarbonyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2cccc(c2)C(=O)O)\C#N)cc(c1OC(=O)c1cccc2c1cccc2)Br

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Molecular Weight: 585.41
Empirical Formula: C30H21BrN2O6

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 7.501
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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