COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586567
Chemical Name: 3-(1,3-benzothiazol-2-yl)-4-oxo-8-(pyrrolidinium-1-ylmethyl)-4H-chromen-7-olate
Smiles: [O-]c1ccc2c(c1C[NH+]1CCCC1)occ(c2=O)c1nc2c(s1)cccc2

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Molecular Weight: 378.45
Empirical Formula: C21H18N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.294
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 5

     

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