COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038904
Chemical Name: 2-bromo-6-methoxy-4-(4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridinium-5-yl)phenolate
Smiles: COc1cc(cc(c1[O-])Br)C1[NH2+]c2ccc3c(c2C2=C1C(=O)CCC2)cccc3

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Molecular Weight: 450.33
Empirical Formula: C24H20BrNO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.767
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 65
Number of rings: 5

     

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