COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037730
Chemical Name: 3-(1,3-benzothiazol-2-yl)-8-{[bis(2-methylpropyl)ammonio]methyl}-2-(ethoxycarbonyl)-6-ethyl-4-oxo-4H-chromen-7-olate
Smiles: CCOC(=O)c1oc2c(C[NH+](CC(C)C)CC(C)C)c([O-])c(cc2c(=O)c1c1nc2c(s1)cccc2)CC

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Molecular Weight: 536.69
Empirical Formula: C30H36N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.969
Rotatable bonds: 11
H-donors: 1
H-acceptors: 5
PSA: 121
Number of rings: 4

     

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