COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK039716
Chemical Name: 2,4,6-trinitrophenol-3-methyl-9,10-di(prop-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.C=CCC1N(CC=C)C2CC(C1c1c2cccc1)C

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Molecular Weight: 482.49
Empirical Formula: C24H26N4O7

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 160
Number of rings: 5

     

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