COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK514574
Chemical Name: ethyl2-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)c1ccc2c(c1)OCCO2)O

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Saltdata: 1/3CH3COOH
Molecular Weight: 631.46
Empirical Formula: C27H23BrN2O9S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.697
Rotatable bonds: 9
H-donors: 2
H-acceptors: 9
PSA: 172
Number of rings: 5

     

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