COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581489
Chemical Name: (4E)-5-(3-butoxyphenyl)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 650.18
Empirical Formula: C32H28ClN3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.245
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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