COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL388365
Chemical Name: 2-amino-4-(2-bromo-4,5-diethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: CCOc1cc(c(cc1OCC)Br)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 461.36
Empirical Formula: C22H25BrN2O4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.333
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 94
Number of rings: 3

     

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