COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK133198
Chemical Name: (2E)-2-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1c(Cl)cccc1Cl)/C(=O)C(C)(C)C

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Molecular Weight: 418.32
Empirical Formula: C22H21Cl2NO3

Physical State: Dry powder
Available Amount: 716 mg

Lipinsky:
logP: 5.738
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 2

     

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