COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565944
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-[4-(methoxycarbonyl)phenyl]-4,5-dioxopyrrolidin-3-ylidene}[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CCOC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(=O)OC)CC[NH+](C)C)/[O-])C

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Molecular Weight: 497.55
Empirical Formula: C26H31N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.701
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 133
Number of rings: 3

     

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