COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK181027
Chemical Name: (2Z)-3-(1-{4-[(4-bromobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)-2-cyano-N-(4-ethoxyphenyl)prop-2-enamide
Smiles: CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(cc1)OCc1ccc(cc1)Br)C)/C#N

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Molecular Weight: 570.49
Empirical Formula: C31H28BrN3O3

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 7.99
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 76
Number of rings: 4

     

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