COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514739
Chemical Name: 6-bromo-8'-[(dimethylammonio)methyl]-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
Smiles: O=c1cc(c2cc3cc(Br)ccc3oc2=O)c2c(o1)c(C[NH+](C)C)c(cc2)[O-]

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Molecular Weight: 442.27
Empirical Formula: C21H16BrNO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.551
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 80
Number of rings: 4

     

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