COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK908980
Chemical Name: 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(cc(c1O)Br)C1C(=C(C(=O)N1c1nnc(s1)C)O)C(=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 560.38
Empirical Formula: C23H18BrN3O7S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 3.327
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 159
Number of rings: 5

     

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