COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387608
Chemical Name: (2E)-N-benzyl-3-{2-bromo-4-[(4-bromobenzyl)oxy]-5-methoxyphenyl}-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1)Br)/C(=O)NCc1ccccc1

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Molecular Weight: 556.25
Empirical Formula: C25H20Br2N2O3

Physical State: Dry powder
Available Amount: 225 mg

Lipinsky:
logP: 6.503
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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