COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591551
Chemical Name: (E)-{4-[(3-methylbenzyl)oxy]phenyl}[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1cc[nH+]cc1)/[O-]

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Molecular Weight: 535.56
Empirical Formula: C31H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.188
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 5

     

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