COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038047
Chemical Name: (E)-{2-[4-(dimethylammonio)phenyl]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC1Cc2c(O1)ccc(c2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[NH+](C)C)Cc1ccco1)/[O-]

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Molecular Weight: 458.51
Empirical Formula: C27H26N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.603
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 87
Number of rings: 5

     

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