COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587531
Chemical Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-oxo-4H-chromen-7-olate
Smiles: CC[NH+](Cc1c([O-])ccc2c1occ(c2=O)c1nc2c(s1)cccc2)CC

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Molecular Weight: 380.47
Empirical Formula: C21H20N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.145
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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