COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472832
Chemical Name: 3-{(1E)-2-cyano-3-oxo-3-[(2,4,4-trimethylpentan-2-yl)amino]prop-1-en-1-yl}phenyl4-methylbenzoate
Smiles: N#C/C(=C\c1cccc(c1)OC(=O)c1ccc(cc1)C)/C(=O)NC(CC(C)(C)C)(C)C

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Molecular Weight: 418.54
Empirical Formula: C26H30N2O3

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 5.921
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 2

     

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