COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL487922
Chemical Name: 2-{[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]sulfanyl}benzoicacid
Smiles: COc1cc(cc(c1OC)OC)C(Sc1ccccc1C(=O)O)C[N+](=O)[O-]

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Molecular Weight: 393.42
Empirical Formula: C18H19NO7S

Available Amount: 0 mg

Lipinsky:
logP: 3.063
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 136
Number of rings: 2

     

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