COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK006070
Chemical Name: 2,4,6-trinitrophenol-(2S,6S)-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine(1:1)
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.C=CC[C@H]1CC=C[C@@H](N1)CC=C

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Molecular Weight: 392.37
Empirical Formula: C17H20N4O7

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 169
Number of rings: 2

     

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