COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528374
Chemical Name: 8-[(3,3-dimethylpiperidinium-1-yl)methyl]-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-olate
Smiles: CCc1cc2c(c(c1[O-])C[NH+]1CCCC(C1)(C)C)occ(c2=O)c1nc2c(n1C)cccc2

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Molecular Weight: 445.56
Empirical Formula: C27H31N3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.171
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 5

     

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