COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819964
Chemical Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCOc1ccc(cc1OC)C1N(c2nc3c(s2)cc(cc3)OCC)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Saltdata: 1/4CH3COOH
Molecular Weight: 588.64
Empirical Formula: C31H28N2O8S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 6.017
Rotatable bonds: 9
H-donors: 1
H-acceptors: 8
PSA: 144
Number of rings: 6

     

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