COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576594
Chemical Name: (4E)-5-(3,4-dichlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Smiles: Cc1nnc(s1)N1C(c2ccc(c(c2)Cl)Cl)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 504.35
Empirical Formula: C22H15Cl2N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.397
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 5

     

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