COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473107
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-{5-bromo-2-[(2-chlorobenzyl)oxy]phenyl}-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 525.79
Empirical Formula: C25H18BrClN2O4

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 6.308
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 4

     

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