COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK106127
Chemical Name: (2Z)-3-(1-{4-[(4-bromobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
Smiles: CCc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(cc1)OCc1ccc(cc1)Br)C)/C#N

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Molecular Weight: 554.49
Empirical Formula: C31H28BrN3O2

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 8.5
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 67
Number of rings: 4

     

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