COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044544
Chemical Name: N-(2-{[1-(1-acetyl-1H-indol-3-yl)-2-nitroethyl]sulfanyl}ethyl)-4-nitrobenzamide
Smiles: [O-][N+](=O)CC(c1cn(c2c1cccc2)C(=O)C)SCCNC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 456.48
Empirical Formula: C21H20N4O6S

Available Amount: 0 mg

Lipinsky:
logP: 3.832
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 168
Number of rings: 3

     

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