COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046432
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-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(cc1)C(C)C)CC[NH+](C)C)/[O-])C

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Molecular Weight: 467.57
Empirical Formula: C26H33N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.531
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 106
Number of rings: 3

     

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