COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK137675
Chemical Name: (2E)-2-{2-[(2-chlorobenzyl)oxy]benzylidene}-4,4-dimethyl-3-oxopentanenitrile
Smiles: N#C/C(=C\c1ccccc1OCc1ccccc1Cl)/C(=O)C(C)(C)C

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Molecular Weight: 353.85
Empirical Formula: C21H20ClNO2

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 5.308
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 50
Number of rings: 2

     

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