COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560983
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-2-(2-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COc1ccccc1C1N(CCCn2cc[nH+]c2)C(=O)C(=O)/C/1=C(\c1c(C)[nH]c(c1C)C(=O)OC)/[O-]

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Molecular Weight: 492.53
Empirical Formula: C26H28N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.959
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 130
Number of rings: 4

     

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