COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040425
Chemical Name: (E)-[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}methanolate
Smiles: COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 482.54
Empirical Formula: C25H30N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.43
Rotatable bonds: 8
H-donors: 2
H-acceptors: 6
PSA: 129
Number of rings: 4

     

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