COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045952
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/[O-])/C1c1ccc(cc1)C(C)C)CC

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Molecular Weight: 476.62
Empirical Formula: C29H36N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.149
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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