COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564342
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Smiles: CC(COc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+](C)C)/[O-])C

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Molecular Weight: 495.58
Empirical Formula: C27H33N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.973
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 119
Number of rings: 3

     

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