COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562907
Chemical Name: (E)-[2-(4-fluorophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)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)F)Cc1ccc[nH+]c1)/[O-])C

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Molecular Weight: 463.47
Empirical Formula: C25H22FN3O5

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 4.337
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 116
Number of rings: 4

     

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