COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547059
Chemical Name: methyl5-bromo-3-({[4-(4-nitrophenyl)piperazin-1-yl]acetyl}amino)-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])cc(cc2)Br

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Molecular Weight: 516.35
Empirical Formula: C22H22BrN5O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.502
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 123
Number of rings: 4

     

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