COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472815
Chemical Name: (2E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)COc1ccccc1)OC)/C(=O)NC(CC(C)(C)C)(C)C

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Molecular Weight: 420.55
Empirical Formula: C26H32N2O3

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 5.606
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 2

     

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