COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK325692
Chemical Name: (2E)-3-{3-bromo-4-[(2-cyanobenzyl)oxy]phenyl}-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCc1ccccc1C#N)/C(=O)NCc1cccs1

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Molecular Weight: 478.37
Empirical Formula: C23H16BrN3O2S

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.446
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 114
Number of rings: 3

     

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