COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL405714
Chemical Name: (2E)-3-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]phenyl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1Cl)Cl)/C(=O)N1CCOCC1

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Molecular Weight: 496.19
Empirical Formula: C21H17BrCl2N2O3

Physical State: Dry powder
Available Amount: 1319 mg

Lipinsky:
logP: 4.282
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 62
Number of rings: 3

     

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