COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700997
Chemical Name: 4-bromo-2-[(E)-({5-methyl-2-[(2,4,6-trinitrophenyl)amino]phenyl}imino)methyl]phenol
Smiles: Cc1ccc(c(c1)/N=C/c1cc(Br)ccc1O)Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 516.26
Empirical Formula: C20H14BrN5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.875
Rotatable bonds: 2
H-donors: 2
H-acceptors: 7
PSA: 182
Number of rings: 3

     

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