COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK211878
Chemical Name: N-(4-bromo-3-methylphenyl)-N~3~-[2-(3,4-dimethoxyphenyl)ethyl]-N~3~-methyl-beta-alaninamide
Smiles: COc1cc(CCN(CCC(=O)Nc2ccc(c(c2)C)Br)C)ccc1OC

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Saltdata: HCl
Molecular Weight: 435.36
Empirical Formula: C21H27BrN2O3

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 3.705
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 50
Number of rings: 2

     

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