COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589939
Chemical Name: (4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Smiles: CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)C

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Molecular Weight: 698.65
Empirical Formula: C33H29Cl2N3O6S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 9.2
Rotatable bonds: 10
H-donors: 1
H-acceptors: 6
PSA: 164
Number of rings: 6

     

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