COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086148
Chemical Name: 2,4,6-trinitrophenol-4-[(2S,6R)-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol(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(CC=C)(CC=C)O

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Molecular Weight: 502.52
Empirical Formula: C24H30N4O8

Physical State: Dry powder
Available Amount: 178 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 189
Number of rings: 2

     

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