COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183260
Chemical Name: (2E)-2-cyano-3-{3,5-dibromo-4-[(2-cyanobenzyl)oxy]phenyl}-N-(propan-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)Br)OCc1ccccc1C#N)/C(=O)NC(C)C

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Molecular Weight: 503.19
Empirical Formula: C21H17Br2N3O2

Physical State: Dry powder
Available Amount: 329 mg

Lipinsky:
logP: 4.237
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 85
Number of rings: 2

     

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