COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK280399
Chemical Name: 1-(1,3-benzodioxol-5-yl)-N-[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)benzyl]methanamine
Smiles: COc1cc(CNCc2ccc3c(c2)OCO3)cc(c1OCc1cccnc1)Br

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Saltdata: 2HCl
Molecular Weight: 457.32
Empirical Formula: C22H21BrN2O4

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 3.874
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 61
Number of rings: 4

     

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