COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK597891
Chemical Name: (4E)-5-[3-(benzyloxy)phenyl]-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Smiles: CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)OCc1ccccc1)c1nnc(s1)SCc1ccc(cc1Cl)Cl)/O

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Molecular Weight: 716.66
Empirical Formula: C36H27Cl2N3O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.603
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 7

     

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