COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044016
Chemical Name: (E)-[2-(3-butoxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CCCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 498.58
Empirical Formula: C30H30N2O5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.35
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 5

     

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