COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK460482
Chemical Name: (2E)-2-(3-bromo-4-methoxybenzylidene)-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OC)/C(=O)C(C)(C)C

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Molecular Weight: 322.2
Empirical Formula: C15H16BrNO2

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 3.631
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 50
Number of rings: 1

     

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