COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147712
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1ccc(cc1)F)CC

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Molecular Weight: 485.56
Empirical Formula: C26H32FN3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.43
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 106
Number of rings: 3

     

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