COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149190
Chemical Name: (E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(morpholin-4-ium-4-yl)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 526.55
Empirical Formula: C26H30N4O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.652
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 162
Number of rings: 4

     

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