COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049104
Chemical Name: (E)-{2-[3-(3-methylbutoxy)phenyl]-4,5-dioxo-1-(pyridinium-4-ylmethyl)pyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Smiles: CC(CCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[O-])/C(=O)C(=O)N1Cc1cc[nH+]cc1)C

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Molecular Weight: 512.61
Empirical Formula: C31H32N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.697
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 5

     

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