COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045793
Chemical Name: (E)-{1-[3-(diethylammonio)propyl]-2-(4-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC[NH+](CCCN1C(c2ccc(cc2)F)/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C1=O)CC

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Molecular Weight: 466.55
Empirical Formula: C27H31FN2O4

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.986
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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