COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK656483
Chemical Name: [5-bromo-1-(carboxymethyl)-1H-indol-3-yl]{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}aceticacid
Smiles: CN(C(=O)CN1CCN(CC1)C(c1cn(c2c1cc(Br)cc2)CC(=O)O)C(=O)O)C

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Molecular Weight: 481.35
Empirical Formula: C20H25BrN4O5

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 1.188
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 106
Number of rings: 3

     

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