COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK598487
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-[3-ethoxy-4-(pentyloxy)phenyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1CC[NH+](C)C

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Molecular Weight: 536.67
Empirical Formula: C31H40N2O6

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 6.141
Rotatable bonds: 12
H-donors: 1
H-acceptors: 6
PSA: 92
Number of rings: 4

     

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