COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382326
Chemical Name: (2E)-3-{2-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1Cl)Cl)/C(=O)N

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Molecular Weight: 456.12
Empirical Formula: C18H13BrCl2N2O3

Physical State: Dry powder
Available Amount: 2229 mg

Lipinsky:
logP: 4.842
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 85
Number of rings: 2

     

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