COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136605
Chemical Name: (2E)-2-{4-[(2-chloro-6-fluorobenzyl)oxy]-3-methoxybenzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OCc1c(F)cccc1Cl)/C(=O)C(C)(C)C

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Molecular Weight: 401.86
Empirical Formula: C22H21ClFNO3

Physical State: Dry powder
Available Amount: 721 mg

Lipinsky:
logP: 4.741
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 2

     

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