COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588096
Chemical Name: (4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)c1nnc(s1)SCc1ccccc1Cl)/O

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Molecular Weight: 592.1
Empirical Formula: C29H22ClN3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.688
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 166
Number of rings: 6

     

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