COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514565
Chemical Name: methyl2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-2-(3-ethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOc1cccc(c1)C1N(c2nc(c(s2)C(=O)OC)C)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Saltdata: 1/5CH3COOH
Molecular Weight: 536.56
Empirical Formula: C27H24N2O8S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 4.535
Rotatable bonds: 8
H-donors: 1
H-acceptors: 8
PSA: 152
Number of rings: 5

     

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