COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052441
Chemical Name: 4-({(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-3-ium-2-yl]-2-cyanoethenyl}amino)-2-carboxyphenolate
Smiles: N#C/C(=C\Nc1ccc(c(c1)C(=O)O)[O-])/c1scc([nH+]1)c1ccc2c(c1)OCO2

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Molecular Weight: 407.41
Empirical Formula: C20H13N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.398
Rotatable bonds: 4
H-donors: 3
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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