COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037727
Chemical Name: 2,4,6-trinitrophenol-(2S,6S)-4-methyl-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]1N[C@@H](CC=C)C=C(C1)C

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Molecular Weight: 406.4
Empirical Formula: C18H22N4O7

Physical State: Dry powder
Available Amount: 107 mg

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

     

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