COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041528
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}{4-[(3-methylbenzyl)oxy]phenyl}methanolate
Smiles: Cc1cccc(c1)COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCCn1c[nH+]cc1)/[O-]

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Molecular Weight: 552.59
Empirical Formula: C31H28N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.946
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 5

     

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