COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK597991
Chemical Name: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-chlorophenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O

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Molecular Weight: 612.51
Empirical Formula: C28H19Cl2N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.331
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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