COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044739
Chemical Name: (E)-{2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(phenyl)methanolate
Smiles: Clc1ccc(cc1)C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1ccccc1)/[O-]

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Molecular Weight: 421.88
Empirical Formula: C23H20ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.751
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 4

     

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