COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800806
Chemical Name: 4-(1-benzofuran-2-ylcarbonyl)-5-(3-bromophenyl)-1-{5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: Brc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)F)C(=O)C(=C1C(=O)c1cc2c(o1)cccc2)O

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Saltdata: 1/5CH3COOH
Molecular Weight: 622.5
Empirical Formula: C28H17BrFN3O4S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 6.798
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 150
Number of rings: 6

     

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