COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK820371
Chemical Name: 4-[(3-fluoro-4-methylphenyl)carbonyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Smiles: COc1cc(ccc1O)C1C(=C(C(=O)N1c1nnc(s1)SCc1cccc2c1cccc2)O)C(=O)c1ccc(c(c1)F)C

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Saltdata: 1/4CH3COOH
Molecular Weight: 613.69
Empirical Formula: C32H24FN3O5S2

Physical State: Dry powder
Available Amount: 105 mg

Lipinsky:
logP: 6.804
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 166
Number of rings: 6

     

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