COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK883507
Chemical Name: 5-(4-bromophenyl)-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: Brc1ccc(cc1)C1N(c2nnc(s2)C)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Saltdata: 1/2CH3COOH
Molecular Weight: 514.36
Empirical Formula: C22H16BrN3O5S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 4.022
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 5

     

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