COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472871
Chemical Name: (2E)-3-[5-chloro-2-(3-methylbutoxy)phenyl]-2-cyano-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Cl)ccc1OCCC(C)C)/C(=O)NC(CC(C)(C)C)(C)C

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Molecular Weight: 404.98
Empirical Formula: C23H33ClN2O2

Physical State: Dry powder
Available Amount: 121 mg

Lipinsky:
logP: 6.733
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 62
Number of rings: 1

     

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