COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419346
Chemical Name: 2-amino-4-[3,5-dichloro-4-(prop-2-yn-1-yloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Smiles: C#CCOc1c(Cl)cc(cc1Cl)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 417.29
Empirical Formula: C21H18Cl2N2O3

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 3.436
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 85
Number of rings: 3

     

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