COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514841
Chemical Name: 8'-(azepanium-1-ylmethyl)-6-bromo-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
Smiles: Brc1ccc2c(c1)cc(c(=O)o2)c1cc(=O)oc2c1ccc(c2C[NH+]1CCCCCC1)[O-]

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Molecular Weight: 496.36
Empirical Formula: C25H22BrNO5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.892
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 5

     

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