COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK928692
Chemical Name: 3-(1,3-benzothiazol-2-yl)-8-[(dimethylammonio)methyl]-6-ethyl-4-oxo-2-(trifluoromethyl)-4H-chromen-7-olate
Smiles: CCc1cc2c(c(c1[O-])C[NH+](C)C)oc(c(c2=O)c1nc2c(s1)cccc2)C(F)(F)F

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Molecular Weight: 448.47
Empirical Formula: C22H19F3N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.467
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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