COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK883777
Chemical Name: 1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-hydroxy-5-[4-(propan-2-yl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
Smiles: Clc1ccc(c(c1)Cl)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)C(=C(C1=O)O)C(=O)c1ccc2c(c1)OCCO2

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Molecular Weight: 654.59
Empirical Formula: C31H25Cl2N3O5S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.6
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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