COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186158
Chemical Name: methyl{4-[(1E)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-2-ethoxyphenoxy}acetate
Smiles: CCOc1cc(ccc1OCC(=O)OC)/C=C(/C(=O)NCCc1c[nH]c2c1cccc2)\C#N

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Molecular Weight: 447.49
Empirical Formula: C25H25N3O5

Physical State: Dry powder
Available Amount: 242 mg

Lipinsky:
logP: 2.724
Rotatable bonds: 11
H-donors: 2
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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