COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK907876
Chemical Name: 1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=C1C(=O)c1ccc2c(c1)OCCO2)O

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Molecular Weight: 612.51
Empirical Formula: C28H19Cl2N3O5S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.249
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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