COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK905121
Chemical Name: 5-(4-butoxy-3-ethoxyphenyl)-3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-1,5-dihydro-2H-pyrrol-2-one
Smiles: CCCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2cccc3c2cccc3)C(=O)C(=C1C(=O)c1ccc2c(c1)CC(O2)C)O

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Molecular Weight: 707.87
Empirical Formula: C39H37N3O6S2

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 9.65
Rotatable bonds: 13
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 7

     

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