COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473096
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enamide
Smiles: CCCOc1cc(Br)c(cc1OC)/C=C(/C(=O)NCc1ccc2c(c1)OCO2)\C#N

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Molecular Weight: 473.32
Empirical Formula: C22H21BrN2O5

Physical State: Dry powder
Available Amount: 249 mg

Lipinsky:
logP: 5.001
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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