COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037359
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COc1ccc(cc1OC)C1N(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: 522.56
Empirical Formula: C27H30N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.781
Rotatable bonds: 10
H-donors: 2
H-acceptors: 7
PSA: 140
Number of rings: 4

     

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