COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK075490
Chemical Name: 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)OC(=C(C1c1cc2OCOc2cc1Br)C#N)C(C)(C)C

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Molecular Weight: 402.25
Empirical Formula: C18H16BrN3O3

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: 3.698
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 101
Number of rings: 3

     

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