COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011188
Chemical Name: 2,4,6-trinitrophenol-3,3-dimethyl-9-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalene(1:1)
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CC(=C)CC1NC2CC(C1c1c2cccc1)(C)C

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Molecular Weight: 470.48
Empirical Formula: C23H26N4O7

Physical State: Dry powder
Available Amount: 87 mg

Lipinsky:
logP: 0
Rotatable bonds: 3
H-donors: 2
H-acceptors: 7
PSA: 169
Number of rings: 5

     

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