COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472870
Chemical Name: (2E)-2-cyano-3-{2-[(3-methylbenzyl)oxy]phenyl}-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccccc1OCc1cccc(c1)C)/C(=O)NC(CC(C)(C)C)(C)C

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Molecular Weight: 404.55
Empirical Formula: C26H32N2O2

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 6.21
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 62
Number of rings: 2

     

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