COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385453
Chemical Name: (2E)-3-{5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl}-2-cyano-N-(2-methylphenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)ccc1OCCOc1ccc(cc1)C(C)(C)C)/C(=O)Nc1ccccc1C

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Molecular Weight: 533.46
Empirical Formula: C29H29BrN2O3

Physical State: Dry powder
Available Amount: 208 mg

Lipinsky:
logP: 8.307
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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