COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561190
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OC)OC)CC[NH+](C)C)/[O-])C

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Molecular Weight: 485.54
Empirical Formula: C25H31N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.929
Rotatable bonds: 9
H-donors: 2
H-acceptors: 7
PSA: 125
Number of rings: 3

     

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