COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK814828
Chemical Name: methyl4-(1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-[(3-fluoro-4-methoxyphenyl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Smiles: COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=C1C(=O)c1ccc(c(c1)F)OC)O

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Molecular Weight: 626.09
Empirical Formula: C29H21ClFN3O6S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.834
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 172
Number of rings: 5

     

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