COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536984
Chemical Name: methyl3-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl}amino)-5-bromo-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)Cc1ccc3c(c1)OCO3)cc(cc2)Br

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Molecular Weight: 529.39
Empirical Formula: C24H25BrN4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.157
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 96
Number of rings: 5

     

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