COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596552
Chemical Name: (4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Smiles: Clc1ccc(cc1)CSc1nnc(s1)N1C(c2ccc(cc2)C(C)C)/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C1=O

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Molecular Weight: 620.15
Empirical Formula: C31H26ClN3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.075
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 6

     

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