COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561775
Chemical Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: CCc1cc2c(=O)c(coc2c(c1[O-])C[NH+]1CCCC1)c1nc2c(s1)cccc2

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Molecular Weight: 406.51
Empirical Formula: C23H22N2O3S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.285
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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