COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473095
Chemical Name: (2Z)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-cyanoprop-2-enamide
Smiles: CCCOc1c(Br)cc(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: 83 mg

Lipinsky:
logP: 4.602
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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