COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816113
Chemical Name: methyl4-(3-[(4-butoxyphenyl)carbonyl]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Smiles: CCCCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1ccc(cc1)C(=O)OC)c1nnc(s1)SCc1ccccc1F

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Molecular Weight: 633.72
Empirical Formula: C32H28FN3O6S2

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 7.682
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 172
Number of rings: 5

     

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