COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016211
Chemical Name: 1-[(E)-({2-[(2,4-dinitro-5-{[4-(octyloxy)phenyl]amino}phenyl)amino]phenyl}imino)methyl]naphthalen-2-ol
Smiles: CCCCCCCCOc1ccc(cc1)Nc1cc(Nc2ccccc2/N=C/c2c(O)ccc3c2cccc3)c(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 647.73
Empirical Formula: C37H37N5O6

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 12.842
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 157
Number of rings: 5

     

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