COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044436
Chemical Name: 2-amino-8-(azepanium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxo-4H-chromen-7-olate
Smiles: Nc1oc2c(C[NH+]3CCCCCC3)c([O-])ccc2c(=O)c1c1nc2c(s1)cccc2

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Molecular Weight: 421.52
Empirical Formula: C23H23N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.003
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 120
Number of rings: 5

     

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