COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL371434
Chemical Name: ethyl[2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy]acetate
Smiles: CCOC(=O)COc1ccccc1C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 396.44
Empirical Formula: C22H24N2O5

Physical State: Dry powder
Available Amount: 663 mg

Lipinsky:
logP: 2.103
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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