COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416021
Chemical Name: methyl(2E)-3-{2-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyanoprop-2-enoate
Smiles: N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1)C)/C(=O)OC

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Molecular Weight: 416.27
Empirical Formula: C20H18BrNO4

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: 4.922
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 2

     

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