COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL411205
Chemical Name: methyl3-(7-chloro-1,3-benzodioxol-5-yl)-3-(5-hydroxy-2,1,3-benzothiadiazol-4-yl)propanoate
Smiles: COC(=O)CC(c1c(O)ccc2c1nsn2)c1cc(Cl)c2c(c1)OCO2

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Molecular Weight: 392.82
Empirical Formula: C17H13ClN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.207
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 119
Number of rings: 4

     

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