COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK422674
Chemical Name: 1-methoxypropan-2-yl(2Z)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoate
Smiles: COCC(OC(=O)/C(=C\c1cc(Br)c(c(c1)OCC)O)/C#N)C

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Molecular Weight: 384.23
Empirical Formula: C16H18BrNO5

Physical State: Dry powder
Available Amount: 536 mg

Lipinsky:
logP: 2.801
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 1

     

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